SCHEMBL12408917

SCHEMBL12408917

CCn1cc(C2(c3n[nH]c(=O)o3)N[C@@H](c3nc(-c4ccc(C)cn4)c[nH]3)CC3=C2Nc2ccccc2C3)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 18/20 0.48
KCNH2 Q12809 18/20 0.48
TACR2 P21452 1/20 0.37
PDE4A P27815 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR5 P35346 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL12408913 0.89 SSTR3 (0.49) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL12408914 0.83 SSTR3 (0.48) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL9909897 0.83 SSTR3 (0.70) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL12408911 0.82 SSTR3 (0.47) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL12408915 0.80 SSTR3 (0.48) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL12408916 0.77 SSTR3 (0.37) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL10108750 0.76 SSTR3 (0.81) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL12686378 0.68 SSTR3 (0.69) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL9909899 0.66 SSTR3 (0.70) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL13244746 0.65 SSTR3 (0.81) SSTR3KCNH2TACR2PDE4ASSTR1

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-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 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-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A SSTR3 4218/4885KCNH2 4059/4885TACR2 3371/4885

“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.