SCHEMBL1267149

SCHEMBL1267149

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.50
PDE4B Q07343 2/20 0.49
MC3R P41968 6/20 0.45
MC5R P33032 5/20 0.45
MC1R Q01726 5/20 0.45
KCNH2 Q12809 3/20 0.45
RORC P51449 1/20 0.44
TACR1 P25103 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3968947 1.00 MC4R (0.50) MC4RPDE4BMC3RMC5RMC1R
SCHEMBL13493029 1.00 MC4R (0.50) MC4RPDE4BMC3RMC5RMC1R
SCHEMBL4410764 0.91 MC4R (0.49) MC4RSMN1; SMN2
SCHEMBL4938875 0.91 MC4R (0.49) MC4RSMN1; SMN2
SCHEMBL4414387 0.91 MC4R (0.49) MC4RSMN1; SMN2
SCHEMBL3803361 0.90 SMN1; SMN2 (0.48) MC4RPDE4BTACR1SMN1; SMN2
SCHEMBL3799557 0.90 SMN1; SMN2 (0.48) MC4RPDE4BTACR1SMN1; SMN2
SCHEMBL3798837 0.90 SMN1; SMN2 (0.48) MC4RPDE4BTACR1SMN1; SMN2
SCHEMBL18914417 0.89 PDE4B (0.59) MC4RPDE4BMC3RMC5RMC1R
SCHEMBL13525795 0.89 PDE4B (0.59) MC4RPDE4BMC3RMC5RMC1R

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US disclosed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US disclosed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed
US-8921394-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-30 US disclosed
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 EP disclosed
US-8569299-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2013-10-29 US disclosed
US-8569299-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2013-10-29 US disclosed
US-8569299-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2013-10-29 US disclosed
EP-2326638-B1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-06-19 EP 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
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-2008007930-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2008-01-17 WO disclosed
EP-1716135-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS Pfizer Limited (GB) 2006-11-02 EP disclosed
WO-2005077935-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LIMITED (GB) 2005-08-25 WO disclosed
US-20050176772-A1 Pharmaceutically active compounds PFIZER INC 2005-08-11 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 (4 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-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF MC4R 1120/4885PDE4B 2571/4885MC3R 680/4885
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR MC4R 4/4885PDE4B 131/4885MC3R 86/4885
US-20050176772-A1 Pharmaceutically active compounds MC4R, MC3R, MC5R MC4R 1/4885PDE4B 270/4885MC3R 2/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 MC4R 1/4885PDE4B 263/4885MC3R 4/4885

“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.