SCHEMBL5229401

SCHEMBL5229401

COC(=O)C(C)c1cc(Cl)ccc1C1=CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.45
HTR6 P50406 8/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 2/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
QDPR P09417 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1D P28221 1/20 0.37
MAPK1 P28482 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
SCHEMBL8214687 0.79 HTR2C (0.50) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL6870916 0.76 CCR1 (0.41) MAPTQDPRMEN1KMT2AKDM4E
SCHEMBL27598375 0.75 HTR2C (0.46) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL27598376 0.73 HTR2C (0.46) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL14540630 0.73 HTR2C (0.46) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL5232835 0.73 CNR1 (0.51) HTR6
SCHEMBL4329636 0.71 HTR2C (0.60) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL20280298 0.71 LMNA (0.48) HTR2CMAPTHTR2AMEN1KMT2A
SCHEMBL4329522 0.71 HTR2C (0.55) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL31700695 0.69 CCNT1 (0.42) HTR2CHTR6CCNT1CDK9MAPT

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 HTR2C 153/4885HTR6 368/4885CCNT1 4618/4885
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R HTR2C 153/4885HTR6 368/4885CCNT1 4618/4885

“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.