SCHEMBL1920165

SCHEMBL1920165

COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 3/20 0.51
MC4R P32245 9/20 0.51
MC5R P33032 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PRCP P42785 1/20 0.44
F10 P00742 2/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL29327391 1.00 MC1R (0.51) MC1RMC4RMC5RDRD2DRD3
SCHEMBL21036764 0.90 DPP4 (0.47) MC4RDRD2DRD3F10PRSS1
SCHEMBL20994279 0.90 DPP4 (0.47) MC4RDRD2DRD3F10PRSS1
SCHEMBL1946746 0.90 DRD2 (0.53) DRD2DRD3SIGMAR1F10PRSS1
SCHEMBL4011897 0.89 RORC (0.44) MEN1KMT2AF10PRSS1
SCHEMBL1342943 0.88 MC4R (0.52) MC1RMC4RMC5RDRD2DRD3
SCHEMBL1714377 0.88 MC4R (0.52) MC1RMC4RMC5RDRD2DRD3
SCHEMBL3160669 0.88 MC4R (0.51) MC1RMC4RMC5RDRD2DRD3
SCHEMBL3160673 0.88 MC4R (0.51) MC1RMC4RMC5RDRD2DRD3
SCHEMBL29327329 0.88 MC4R (0.51) MC1RMC4RMC5RDRD2DRD3

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 10 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-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US disclosed
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 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
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 US 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 MC1R 185/4885MC4R 4/4885MC5R 73/4885
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 MC1R 2787/4885MC4R 2367/4885MC5R 1441/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 MC1R 6/4885MC4R 1/4885MC5R 2/4885

“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.