SCHEMBL12377740

SCHEMBL12377740

CCn1cc([C@]2(C3CCOCC3)N[C@@H](c3nc(-c4ccc(F)cc4)n[nH]3)Cc3c2[nH]c2ccccc32)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.52
KCNH2 Q12809 19/20 0.48
SSTR1 P30872 2/20 0.45
SSTR5 P35346 2/20 0.45
TACR2 P21452 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43

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
SCHEMBL12377743 1.00 SSTR3 (0.52) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12377762 0.93 SSTR3 (0.44) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12377736 0.93 SSTR3 (0.44) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12377765 0.93 SSTR3 (0.44) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12377758 0.93 SSTR3 (0.44) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12377735 0.93 SSTR3 (0.44) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12377720 0.75 SSTR3 (0.54) SSTR3KCNH2SSTR1SSTR5SSTR2
SCHEMBL12377734 0.74 SSTR3 (0.47) SSTR3KCNH2SSTR1SSTR5SSTR2
SCHEMBL12377733 0.74 SSTR3 (0.47) SSTR3KCNH2SSTR1SSTR5SSTR2
SCHEMBL12377732 0.74 SSTR3 (0.47) SSTR3KCNH2SSTR1SSTR5SSTR2

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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-08-18 US disclosed
US-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-08-18 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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS GPR119, SSTR3, SSTR2 SSTR3 2/4885KCNH2 953/4885SSTR1 10/4885

“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.