SCHEMBL5227815

SCHEMBL5227815

CC(C(=O)O)c1cc(Cl)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
PTGS1 P23219 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
MAPT P10636 1/20 0.42
PDE4D Q08499 1/20 0.42
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CXCL8 P10145 1/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL27655280 0.87 MEN1 (0.38) PTGS2MEN1KMT2AMAPTTSHR
SCHEMBL2110334 0.81 TP53 (0.47) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL31276823 0.81 TP53 (0.47) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL5229334 0.81 MEN1 (0.46) MEN1KMT2AMAPTTSHRHTR2A
SCHEMBL6591473 0.80 PTGS2 (0.57) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL16973495 0.80 CYP3A4 (0.42) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL3051853 0.80 TSHR (0.50) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL3051005 0.79 PTGS2 (0.40) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL24876443 0.79 PKM (0.39) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL30192825 0.79 PKM (0.39) PTGS2PTGS1MEN1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383501-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-04-04 EP disclosed
EP-1383501-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2005-10-12 EP disclosed
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists UJJAINWALLA FEROZE 2004-12-30 US disclosed
US-6818658-B2 TREATING OBESITY, DIABETES, SEXUAL DYSFUNCTION, INCLUDING ERECTILE DYSFUNCTION AND FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2004-11-16 US disclosed
EP-1383501-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-28 EP disclosed
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2002068388-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (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-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R PTGS2 3551/4885PTGS1 3335/4885MEN1 2447/4885
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R PTGS2 3551/4885PTGS1 3335/4885MEN1 2447/4885

“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.