SCHEMBL2306589

SCHEMBL2306589

COC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50

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
SCHEMBL27405566 1.00 SLC6A4 (0.50) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1920411 0.98 SLC6A4 (0.49) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30858705 0.98 SLC6A4 (0.49) SLC6A4SLC6A3
SCHEMBL16107911 0.87 FPR1 (0.54) SLC6A4SLC6A3
SCHEMBL3828022 0.87 FPR1 (0.54) SLC6A4SLC6A3
SCHEMBL13979149 0.87 FPR1 (0.54) SLC6A4SLC6A3
SCHEMBL14353917 0.85 SLC6A2 (0.46) SLC6A4SLC6A3
SCHEMBL16033453 0.85 SLC6A3 (0.50) SLC6A4SLC6A3
SCHEMBL18700413 0.85 SLC6A2 (0.46) SLC6A4SLC6A3
SCHEMBL16033454 0.85 SLC6A3 (0.50) SLC6A4SLC6A3

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-8039622-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-10-18 US disclosed
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-10-06 US disclosed
US-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS LG CHEM, LTD. (KR) 2011-09-29 US disclosed
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2011-09-15 US disclosed
EP-2350060-A2 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd (KR) 2011-08-03 EP disclosed
EP-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCE LTD. (KR) 2010-05-13 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-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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 (5 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-20110237795-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R SLC6A4 367/4885SLC6A3 297/4885
US-20110245500-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R SLC6A4 367/4885SLC6A3 297/4885
US-20100120783-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R SLC6A4 367/4885SLC6A3 297/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 SLC6A4 1052/4885SLC6A3 1135/4885
US-20110224219-A1 MELANOCORTIN RECEPTOR AGONISTS MC1R, MC3R, MC5R SLC6A4 367/4885SLC6A3 297/4885

“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.