SCHEMBL3608882

SCHEMBL3608882

COc1[c]cc(N2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
PABPC1 P11940 1/20 0.39
MAPT P10636 6/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 4/20 0.37
ALOX15 P16050 3/20 0.37
HTT P42858 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6366674 0.98 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL4170677 0.86 MAPT (0.46) ALDH1A1RAB9ANPC1MAPTKDM4E
SCHEMBL3605536 0.84 MAPT (0.46) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL20836338 0.75 ALDH1A1 (0.41) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL3143426 0.74 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL18605054 0.74 ALDH1A1 (0.46) ALDH1A1NPC1MAPTKDM4EHTT
SCHEMBL3140130 0.73 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL29249307 0.73 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL6366966 0.71 ALDH1A1 (0.41) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL9213288 0.71 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1RAB9ANPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
CN-101421234-A Is suitable for treating p-hydroxytryptamine 5HT6Heterocyclic aryl sulfones of receptor-modulated responsive disorders ABBOTT GMBH (DE) 2009-04-29 CN disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP 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
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-20050004136-A1 Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators PAN KEVIN (US) 2005-01-06 US 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 (3 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-20050004136-A1 Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators OPRL1, NPSR1, NPFFR1 ALDH1A1 4261/4885LMNA 2850/4885L3MBTL1 4508/4885
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A ALDH1A1 527/4885LMNA 4039/4885L3MBTL1 4270/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C ALDH1A1 1061/4885LMNA 3509/4885L3MBTL1 4503/4885

“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.