SCHEMBL6017229

SCHEMBL6017229

NC(=O)c1cc(F)ccc1NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.60
OPRK1 P41145 9/20 0.60
OPRM1 P35372 5/20 0.60
OPRD1 P41143 3/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LTA4H P09960 2/20 0.50
CCR3 P51677 3/20 0.49
CYP2D6 P10635 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6017233 0.83 MEN1 (0.54) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL7240972 0.79 MAPK1 (0.54) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL7240975 0.79 MAPK1 (0.54) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL6758154 0.75 LTA4H (0.65) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL6758155 0.75 LTA4H (0.65) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL4435207 0.75 KCNH2 (0.50) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL6154470 0.74 KCNH2 (0.65) KCNH2OPRK1OPRM1OPRD1LTA4H
SCHEMBL7545873 0.74 L3MBTL1 (0.65) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL3527134 0.73 ROCK2 (0.59) KCNH2OPRK1OPRM1OPRD1MEN1
SCHEMBL3872086 0.73 SIGMAR1 (0.67) OPRK1MEN1KMT2ACCR3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648888-A1 N-(HETEROBICYCLOALKANES)-SUBSTITUTED INDOLES OR HETERODERIVATIVES THEREOF Boehringer Ingelheim International GmbH (DE) 2006-04-26 EP disclosed
US-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2005005425-A1 N-(HETEROBICYCLOALKANES)-SUBTITUTED INDOLES- OR HETERODERIVATIVES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 WO disclosed
EP-1496058-A1 Novel N-(heterobicycloalkanes)-substituted Indoles or heteroderivatives thereof Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 EP 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-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCRL2 KCNH2 1153/4885OPRK1 37/4885OPRM1 79/4885

“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.