SCHEMBL6017233

SCHEMBL6017233

Nc1cc(F)ccc1NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
OPRM1 P35372 2/20 0.51
OPRK1 P41145 2/20 0.51
KCNH2 Q12809 2/20 0.51
OPRD1 P41143 1/20 0.51
ROCK2 O75116 2/20 0.50
ARHGDIA P52565 2/20 0.50
ROCK1 Q13464 2/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
DRD3 P35462 1/20 0.47
LTA4H P09960 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.44
CCR3 P51677 2/20 0.44

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
SCHEMBL3527134 0.85 ROCK2 (0.59) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL6017229 0.83 KCNH2 (0.60) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL7240972 0.81 MAPK1 (0.54) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL7240975 0.81 MAPK1 (0.54) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL3291604 0.81 KDM4E (0.64) ALDH1A1MAPTCCR3
SCHEMBL6758154 0.80 LTA4H (0.65) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL6758155 0.80 LTA4H (0.65) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL4019760 0.79 ROCK2 (0.55) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL4019763 0.79 ROCK2 (0.55) MEN1KMT2AOPRM1OPRK1KCNH2
SCHEMBL4435207 0.77 KCNH2 (0.50) MEN1KMT2AOPRM1OPRK1KCNH2

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 MEN1 3345/4885KMT2A 4089/4885OPRM1 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.