SCHEMBL3979508

SCHEMBL3979508

CC(=O)N1CCN(CCN(Cc2cccc(F)c2)C(Cc2cc(Cl)cc(Cl)c2)c2ncc[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CCR5 P51681 5/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HTR2A P28223 3/20 0.35
RORC P51449 2/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK9 P50750 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3980421 0.90 CCNT1 (0.40) CDK9MAPK1
SCHEMBL3982294 0.87 CCNT1 (0.38) HTR2AHTR2CHRH1ALDH1A1SIGMAR1
SCHEMBL3981484 0.86 ALDH1A1 (0.41) TSHRALDH1A1LMNAGAATHRB
SCHEMBL3983790 0.82 OPRM1 (0.37) OPRM1OPRD1ALDH1A1
SCHEMBL3980103 0.82 PKM (0.40) OPRM1ALDH1A1LMNA
SCHEMBL3984838 0.81 PPARG (0.35) OPRM1
SCHEMBL3978853 0.81 TAAR1 (0.38) TSHROPRM1
SCHEMBL3978719 0.80 PPARG (0.36) OPRM1ALDH1A1
SCHEMBL3981176 0.80 PPARG (0.36) OPRM1ALDH1A1LMNA
SCHEMBL3981755 0.79 OPRM1 (0.38) OPRM1OPRD1ALDH1A1

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 6 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
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 EP disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 CYP2D6 307/4885CYP2C9 446/4885ALOX15 275/4885

“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.