SCHEMBL4615034

SCHEMBL4615034

N#Cc1ccc(N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3F)C2)nc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
MC4R P32245 14/20 0.49
MC3R P41968 6/20 0.49
MC5R P33032 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRM4 Q14833 1/20 0.42
MC1R Q01726 2/20 0.42
PARP1 P09874 3/20 0.42
PARP2 Q9UGN5 2/20 0.42
SLC6A9 P48067 1/20 0.40

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
SCHEMBL29327394 1.00 DPP4 (0.51) DPP4DPP8DPP9DPP7MC4R
SCHEMBL29327382 0.88 MC4R (0.46) DPP4DPP8DPP9DPP7MC4R
SCHEMBL14028098 0.88 MC4R (0.46) DPP4DPP8DPP9DPP7MC4R
SCHEMBL1920691 0.82 PANK3 (0.47) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL15039511 0.82 PANK3 (0.47) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL18481446 0.82 MC4R (0.49) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL12536985 0.80 MC4R (0.47) DPP4DPP8DPP9DPP7MC4R
SCHEMBL4613397 0.80 MC4R (0.61) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL4601228 0.79 MC4R (0.55) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL4603259 0.78 MC4R (0.54) MC4RMC3RMC5RKCNH2MC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 US disclosed
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 EP disclosed
EP-2326638-B1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-06-19 EP disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
WO-2010015972-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LIMITED (GB) 2010-02-11 WO disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 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 (3 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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR DPP4 63/4885DPP8 574/4885DPP9 607/4885
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists MC4R, CHRM4, GPR4 DPP4 261/4885DPP8 1140/4885DPP9 1180/4885
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 DPP4 205/4885DPP8 342/4885DPP9 485/4885

“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.