SCHEMBL2815410

SCHEMBL2815410

O=C(CCCc1nc(C(=O)O)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)[nH]1)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
MTOR P42345 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
KCNH2 Q12809 1/20 0.37
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL17957279 0.95 MCHR1 (0.45) MCHR1NTRK1NTRK2MTORALDH1A1
SCHEMBL13133028 0.93 MCHR1 (0.42) MCHR1NTRK1NTRK2MTORCACNA1G
SCHEMBL2815670 0.89 NTRK1 (0.40) NTRK1NTRK2PARP1ALDH1A1EPHX2
SCHEMBL17957276 0.89 MCHR1 (0.40) MCHR1NTRK1NTRK2MTORTRPV1
SCHEMBL2813663 0.88 MCHR1 (0.45) MCHR1NTRK1NTRK2MTORALDH1A1
SCHEMBL2814671 0.88 NTRK1 (0.45) MCHR1NTRK1NTRK2MTORTRPV1
SCHEMBL2819331 0.86 ROCK1 (0.49) MCHR1NTRK1NTRK2TRPV1
SCHEMBL17957281 0.84 MCHR1 (0.43) MCHR1NTRK1NTRK2MTORALDH1A1
SCHEMBL2818198 0.83 MCHR1 (0.40) MCHR1NTRK1NTRK2MTOR
SCHEMBL13133022 0.82 PARP1 (0.41) NTRK1NTRK2PARP1ALDH1A1EPHX2

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-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 MCHR1 4238/4885NTRK1 3535/4885NTRK2 4562/4885

“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.