SCHEMBL5259127

SCHEMBL5259127

Cc1ccccc1C(c1c(-c2ccccc2)[nH]c2ccccc12)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.57
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CNR2 P34972 1/20 0.41
DRD2 P14416 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL5256868 0.84 VDR (0.48) CNR1GAA
SCHEMBL5259593 0.74 CNR1 (0.56) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL5258135 0.74 CCNB2 (0.63) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL5260291 0.74 CNR1 (0.53) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL5261136 0.73 CNR1 (0.46) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL5259512 0.73 CNR1 (0.52) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL5259798 0.73 CNR1 (0.50) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL12244367 0.72 CCNB2 (0.75) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL27574557 0.70 CCNB2 (0.53) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL5258191 0.69 VDR (0.54) CNR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN claimed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN disclosed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US disclosed
EP-1261585-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2002-12-04 EP disclosed
WO-2001047885-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 WO 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 (1 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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 CNR1 19/4885CCNB2 544/4885CDK1 787/4885

“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.