SCHEMBL6870916

SCHEMBL6870916

COC(=O)C(C)c1cc(Cl)ccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
MAPT P10636 7/20 0.41
THRB P10828 1/20 0.39
CNR1 P21554 3/20 0.39
LMNA P02545 5/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MET P08581 1/20 0.35
CCR4 P51679 1/20 0.35
QDPR P09417 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK4 Q16654 1/20 0.34

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
SCHEMBL5232835 0.87 CNR1 (0.51) CNR1PDK4
SCHEMBL6869073 0.85 CNR1 (0.42) CCR1MAPTTHRBCNR1LMNA
SCHEMBL4433323 0.81 MAPT (0.52) CCR1MAPTTHRBCNR1LMNA
SCHEMBL6869489 0.77 MAPT (0.41) CCR1MAPTCNR1LMNAHTT
SCHEMBL5229401 0.76 HTR2C (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL14993970 0.76 KCNH2 (0.46) CCR1MAPTCNR1KCNH2HRH3
SCHEMBL3120011 0.73 CNR1 (0.54) CNR1PDK4
SCHEMBL28510941 0.72 CNR1 (0.40) CCR1MAPTCNR1LMNAHTT
SCHEMBL22324861 0.72 FASN (0.43) MAPTLMNAHTTMEN1KMT2A
SCHEMBL27842059 0.72 CNR1 (0.43) CCR1MAPTCNR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818658-B2 TREATING OBESITY, DIABETES, SEXUAL DYSFUNCTION, INCLUDING ERECTILE DYSFUNCTION AND FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2004-11-16 US disclosed
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2003-12-04 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-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CCR1 1989/4885MAPT 3060/4885THRB 846/4885

“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.