SCHEMBL5229334

SCHEMBL5229334

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
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
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL20280298 0.83 LMNA (0.48) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL27655280 0.83 MEN1 (0.38) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL21355940 0.83 PSEN1 (0.40) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL5227815 0.81 PTGS2 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL24519862 0.81 ALDH1A1 (0.49) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL31207283 0.81 HPGD (0.48) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL8499856 0.80 L3MBTL1 (0.41) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8934106 0.80 LMNA (0.50) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL31383801 0.76 CYP2C19 (0.49) KMT2ALMNAALDH1A1CYP2C9CYP2C19
SCHEMBL1345452 0.76 CYP2C19 (0.49) KMT2ALMNAALDH1A1CYP2C9CYP2C19

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 9 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-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
CN-1633297-A Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO INC (US) 2005-06-29 CN 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 MEN1 2447/4885KMT2A 671/4885LMNA 4478/4885
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MEN1 2447/4885KMT2A 671/4885LMNA 4478/4885

“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.