SCHEMBL3978853

SCHEMBL3978853

CN(C)CCN(Cc1cccc(F)c1)C(Cc1cc(Cl)cc(Cl)c1)c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
ROCK2 O75116 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CCNT1 O60563 1/20 0.33
F2RL1 P55085 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CSF1R P07333 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3983751 0.88 SLC6A2 (0.39) TAAR1OPRM1OPRL1F2RL1PPARG
SCHEMBL3980103 0.86 PKM (0.40) OPRM1OPRL1CCNT1MEN1KMT2A
SCHEMBL3984838 0.85 PPARG (0.35) OPRM1OPRL1MEN1KMT2APPARG
SCHEMBL3983790 0.85 OPRM1 (0.37) OPRM1OPRL1PPARGPPARA
SCHEMBL3979787 0.84 TAAR1 (0.38) TAAR1F2RL1
SCHEMBL3978719 0.84 PPARG (0.36) TAAR1OPRM1OPRL1MEN1KMT2A
SCHEMBL3981176 0.83 PPARG (0.36) TAAR1OPRM1OPRL1MEN1KMT2A
SCHEMBL3981755 0.83 OPRM1 (0.38) OPRM1OPRL1PPARGPPARA
SCHEMBL3982294 0.83 CCNT1 (0.38) CCNT1KDM4E
SCHEMBL3979520 0.82 PSEN1 (0.37) F2RL1PSEN1PSEN2APH1BNCSTN

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
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US claimed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US claimed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 TAAR1 3773/4885ROCK2 4116/4885OPRM1 3624/4885

“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.