SCHEMBL322646

SCHEMBL322646

O=C(O)c1cnc(N2CCOCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.60
POLB P06746 2/20 0.53
PIK3CA P42336 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.43
AKR1C3 P42330 1/20 0.43
CNR2 P34972 2/20 0.43
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL29907656 1.00 KMO (0.60) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL17075525 0.98 KMO (0.59) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL29889648 0.89 KMO (0.51) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL5040368 0.89 KMO (0.51) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL27858848 0.88 ALDH1A1 (0.51) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL18412787 0.85 ALDH1A1 (0.49) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL25666898 0.84 MAPT (0.44) KMOALDH1A1KDM4EMAPTSMN1; SMN2
Lithium Ion SCHEMBL17075524 0.84 ALDH1A1 (0.49) KMOPOLBPIK3CAALDH1A1HPGD
SCHEMBL30855580 0.83 MAPT (0.45) KMOPOLBALDH1A1HPGDHSD17B10
SCHEMBL14658665 0.83 MAPT (0.45) KMOPOLBALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HOFFMAN-LA ROCHE INC. 2014-11-27 US claimed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP claimed
US-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US claimed
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-02-16 US claimed
EP-2183245-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
CN-117343063-A Compounds as TRK inhibitors and/or RET inhibitors and uses thereof 河南迈英诺医药科技有限公司 2024-01-05 CN disclosed
US-20230212131-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2023-07-06 US disclosed
US-20230212131-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2023-07-06 US disclosed
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-29 US disclosed
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-29 US disclosed
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 WO disclosed
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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 (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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A KMO 1349/4885POLB 4539/4885PIK3CA 1791/4885
US-20230212131-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF COL1A1, COL2A1, COL14A1 KMO 4127/4885POLB 554/4885PIK3CA 3413/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C KMO 1119/4885POLB 4078/4885PIK3CA 2613/4885
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA JAK1, JAK2, JAK3 KMO 346/4885POLB 3557/4885PIK3CA 251/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A KMO 1349/4885POLB 4539/4885PIK3CA 1791/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A KMO 1349/4885POLB 4539/4885PIK3CA 1791/4885
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A KMO 1349/4885POLB 4539/4885PIK3CA 1791/4885

“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.