SCHEMBL6869073

SCHEMBL6869073

C[C@@H](O)c1cc(Cl)ccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
CCR1 P32246 1/20 0.42
MAPT P10636 5/20 0.40
THRB P10828 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
QDPR P09417 1/20 0.36
SLC6A4 P31645 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL6870916 0.85 CCR1 (0.41) CNR1CCR1MAPTTHRBKCNH2
SCHEMBL3120011 0.84 CNR1 (0.54) CNR1
SCHEMBL4433323 0.78 MAPT (0.52) CNR1CCR1MAPTTHRBLMNA
SCHEMBL27842059 0.77 CNR1 (0.43) CNR1CCR1MAPTLMNAHTT
SCHEMBL28510941 0.77 CNR1 (0.40) CNR1CCR1MAPTLMNAHTT
SCHEMBL6869489 0.74 MAPT (0.41) CNR1CCR1MAPTLMNAHTT
SCHEMBL15556551 0.74 CNR1 (0.63) CNR1CCR1MAPTLMNAHTT
SCHEMBL28433071 0.74 TRPV1 (0.45) CNR1MAPTLMNAHTTNPSR1
SCHEMBL21714595 0.72 MAPT (0.44) MAPTKCNH2HRH3LMNAHTT
SCHEMBL1703585 0.72 SLC6A4 (0.67) MAPTLMNASLC6A4DRD2

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 CNR1 229/4885CCR1 1989/4885MAPT 3060/4885

“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.