SCHEMBL9965895

SCHEMBL9965895

CN1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
SSTR5 P35346 1/20 0.58
DGAT1 O75907 1/20 0.46
SIGMAR1 Q99720 4/20 0.43
OPRM1 P35372 4/20 0.39
HSD11B1 P28845 2/20 0.39
DRD2 P14416 1/20 0.39
KMT2A Q03164 1/20 0.37
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL9963264 0.86 KCNH2 (0.56) KCNH2SSTR5DGAT1SIGMAR1OPRM1
SCHEMBL10153444 0.82 SSTR5 (0.50) KCNH2SSTR5DGAT1OPRD1
SCHEMBL7665691 0.80 SSTR5 (0.52) KCNH2SSTR5DGAT1KMT2A
SCHEMBL12836464 0.75 SSTR5 (0.45) KCNH2SSTR5DGAT1HSD11B1KMT2A
SCHEMBL14319818 0.74 SSTR5 (0.54) KCNH2SSTR5DGAT1
SCHEMBL14286618 0.72 SSTR5 (0.52) KCNH2SSTR5DGAT1DRD2
SCHEMBL2768251 0.71 SIGMAR1 (0.38) KCNH2SSTR5SIGMAR1OPRM1DRD2
SCHEMBL2768903 0.71 SIGMAR1 (0.38) KCNH2SSTR5SIGMAR1OPRM1DRD2
SCHEMBL342901 0.70 SSTR5 (0.45) KCNH2SSTR5SIGMAR1OPRM1KMT2A
SCHEMBL9966021 0.70 SIGMAR1 (0.43) KCNH2SIGMAR1OPRM1HSD11B1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KCNH2 409/4885SSTR5 385/4885DGAT1 4038/4885

“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.