SCHEMBL6868879

SCHEMBL6868879

C[C@H](N)c1cc(Cl)ccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
PTGDR Q13258 3/20 0.43
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
MC4R P32245 5/20 0.40
MC5R P33032 2/20 0.40
MC3R P41968 2/20 0.40
ADAM17 P78536 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
PTGER2 P43116 1/20 0.39
GRM5 P41594 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 3/20 0.38
KCNH2 Q12809 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
SCHEMBL3118248 0.83 STS (0.48) TP53HTTMEN1KMT2A
SCHEMBL6867393 0.83 MC4R (0.48) MC4RMC5RMC3R
SCHEMBL1094791 0.75 PTGDR2 (0.45) PTGDR2PTGDRPTGER2GRM5LMNA
SCHEMBL14540632 0.75 HTR6 (0.46) LMNATP53HTTKCNH2
SCHEMBL17398233 0.72 POLB (0.44) PTGDR2LMNATP53MEN1KMT2A
SCHEMBL4680009 0.71 MEN1 (0.46) MEN1KMT2AKCNH2
SCHEMBL28432246 0.71 RBP4 (0.54)
SCHEMBL23212047 0.71 RORC (0.50) KMT2AKCNH2
SCHEMBL14540631 0.70 MC4R (0.45) MC4RMC5RMC3R
SCHEMBL4072569 0.70 OPRD1 (0.46) DPP4DPP7MEN1KMT2A

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 PTGDR2 791/4885PTGDR 375/4885DPP4 117/4885

“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.