SCHEMBL1032787

SCHEMBL1032787

CCn1cc(-c2cc[c]cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
LRRK2 Q5S007 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 7/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CREBBP Q92793 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19693108 0.86 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18487593 0.81 L3MBTL1 (0.65) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3607256 0.80 L3MBTL1 (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17809809 0.79 LRRK2 (0.64) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16012839 0.79 NAMPT (0.46) L3MBTL1KCNH2PRMT5WDR77CREBBP
SCHEMBL17608240 0.78 FFAR1 (0.50) L3MBTL1PDK2CYP2C9PIM1
SCHEMBL16012324 0.78 IKBKE (0.43) KCNH2
SCHEMBL17870561 0.78 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18609309 0.78 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18520179 0.78 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US claimed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO claimed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO disclosed
US-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-01-14 US disclosed
EP-3464292-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2019-04-10 EP disclosed
WO-2017214002-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
US-8969552-B2 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-03 US disclosed
EP-2439203-B1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND (DE) 2014-11-19 EP disclosed
CN-101039904-B Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG 2014-09-24 CN disclosed
EP-1812416-B1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-08-21 EP disclosed
US-20090048326-A1 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-02-19 US disclosed
US-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-08 US disclosed
US-20080318996-A1 6-Amino(Aza)Indane Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO.KG A CORPORATION 2008-12-25 US disclosed
US-20080096934-A1 Aminoethylaromatic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2008-04-24 US disclosed
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-02-21 US disclosed
CN-101068801-A Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for the treatment of disorders which respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2007-11-07 CN disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
CN-101039904-A Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
CN-101039900-A 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048326-A1 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, NR3C1, NR3C2 PIK3CD 2513/4885PIK3CA 2249/4885PIK3CB 2868/4885
US-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF CYP4X1, CYP3A7, CYP4Z1 PIK3CD 453/4885PIK3CA 1050/4885PIK3CB 437/4885
US-20080318996-A1 6-Amino(Aza)Indane Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADORA3, NPR3, SLC6A3 PIK3CD 2501/4885PIK3CA 2874/4885PIK3CB 3325/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 PIK3CD 1461/4885PIK3CA 2366/4885PIK3CB 980/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 PIK3CD 3273/4885PIK3CA 2838/4885PIK3CB 3996/4885
US-20080096934-A1 Aminoethylaromatic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor MC3R, DRD3, ADORA3 PIK3CD 3595/4885PIK3CA 3290/4885PIK3CB 4264/4885
US-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ADRB3, SLC6A3, NR3C2 PIK3CD 4146/4885PIK3CA 3766/4885PIK3CB 4533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.