SCHEMBL3116465

SCHEMBL3116465

O=C1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
MCL1 Q07820 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3118245 0.85 SLC9A1 (0.40) SLC9A1CA1CA2CA4CA7
SCHEMBL3115343 0.85 GAA (0.40) SLC9A1CA1CA2CA4CA7
SCHEMBL3118241 0.85 SLC9A1 (0.40) SLC9A1CA1CA2CA4CA7
SCHEMBL3115335 0.85 GAA (0.40) SLC9A1CA1CA2CA4CA7
SCHEMBL3118234 0.85 SLC9A1 (0.40) SLC9A1CA1CA2CA4CA7
SCHEMBL3115351 0.85 GAA (0.40) SLC9A1CA1CA2CA4CA7
SCHEMBL7226907 0.84 MCL1 (0.50) MCL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7226904 0.84 MCL1 (0.50) MCL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3113860 0.81 SLC9A1 (0.42) SLC9A1CA1CA2CA4CA7
SCHEMBL6832060 0.78 SLC9A1 (0.60) SLC9A1CYP1A2CYP3A4CYP2D6CYP2C9

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 5 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
US-20040092501-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-13 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 (2 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 SLC9A1 4237/4885CA1 4882/4885CA2 4769/4885
US-20040092501-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R SLC9A1 4237/4885CA1 4882/4885CA2 4769/4885

“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.