SCHEMBL9944780

SCHEMBL9944780

CNc1cc(N(C)Cc2ccc(F)cc2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.46
CNR1 P21554 11/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PTGES O14684 1/20 0.39
BRD4 O60885 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL9897642 0.91 PTGES (0.48) CNR2CNR1ALDH1A1MAPTPTGES
SCHEMBL9897645 0.91 PTGES (0.48) CNR2CNR1ALDH1A1MAPTPTGES
SCHEMBL9944778 0.85 CNR2 (0.48) CNR2CNR1PTGESBRD4HPGD
SCHEMBL9944785 0.83 ALDH1A1 (0.40) CNR2CNR1ALDH1A1PTGES
SCHEMBL9944783 0.83 ALDH1A1 (0.40) CNR2CNR1ALDH1A1PTGES
SCHEMBL9944927 0.82 ALDH1A1 (0.40) CNR2CNR1ALDH1A1PTGES
SCHEMBL9944779 0.82 ALDH1A1 (0.40) CNR2CNR1ALDH1A1PTGES
SCHEMBL9944933 0.82 ALDH1A1 (0.40) CNR2CNR1ALDH1A1PTGES
SCHEMBL9944929 0.81 ALDH1A1 (0.39) CNR2CNR1ALDH1A1PTGES
SCHEMBL9944896 0.81 PTGES (0.41) CNR2CNR1ALDH1A1MAPTPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES CNR2 142/4885CNR1 66/4885ALDH1A1 126/4885

“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.