SCHEMBL3115351

SCHEMBL3115351

O=C1CCC(C(=O)O)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SLC9A1 P19634 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL3115343 1.00 GAA (0.40) GAASLC9A1POLBHTTRAB9A
SCHEMBL3115335 1.00 GAA (0.40) GAASLC9A1POLBHTTRAB9A
SCHEMBL3118241 0.88 SLC9A1 (0.40) SLC9A1POLBHTTRAB9ACA1
SCHEMBL3118234 0.88 SLC9A1 (0.40) SLC9A1POLBHTTRAB9ACA1
SCHEMBL3118245 0.88 SLC9A1 (0.40) SLC9A1POLBHTTRAB9ACA1
SCHEMBL2507227 0.85 MEN1 (0.48) GAASLC9A1POLBHTTMCL1
SCHEMBL3116465 0.85 SLC9A1 (0.43) GAASLC9A1POLBHTTRAB9A
SCHEMBL1695729 0.85 MEN1 (0.48) GAASLC9A1POLBHTTMCL1
SCHEMBL2507229 0.85 MEN1 (0.48) GAASLC9A1POLBHTTMCL1
SCHEMBL1695410 0.84 TDP1 (0.43) GAASLC9A1HTTMCL1SLC6A3

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
US-7700778-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. (US) 2010-04-20 US disclosed
EP-1385506-B1 ACYLATED PIPERIDINE DERIVATES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-7012084-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2006-03-14 US disclosed
US-20060025442-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-02-02 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-20060025442-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R GAA 3076/4885SLC9A1 4237/4885POLB 3277/4885

“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.