SCHEMBL5260291

SCHEMBL5260291

Cc1ccccc1C(c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.53
MAPT P10636 2/20 0.48
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 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
SCHEMBL5259512 0.99 CNR1 (0.52) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL5259027 0.85 CNR1 (0.55) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL5258567 0.84 CNR1 (0.54) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL5258234 0.84 CNR1 (0.52) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL5262177 0.83 MAPT (0.56) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL29387235 0.77 MAPT (0.72) CNR1MAPTHTR2AHTR2C
SCHEMBL5262864 0.75 SLC6A2 (0.46) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL5259509 0.75 SLC6A2 (0.45) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL20105030 0.74 HTR2A (0.56) CNR1MAPTHTR2AHTR2CKCNH2
SCHEMBL5259127 0.74 CNR1 (0.57) CNR1HTR2AHTR2CDRD2CCNB2

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 7 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
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US 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
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 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 (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 19/4885MAPT 2635/4885HTR2A 77/4885

“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.