SCHEMBL3018513

SCHEMBL3018513

CCn1cc(C2(c3noc(C)n3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 20/20 0.82
▸ KCNH2 Q12809 20/20 0.82
▸ SSTR1 P30872 3/20 0.70
▸ SSTR5 P35346 3/20 0.70
▸ SSTR4 P31391 2/20 0.70
▸ SSTR2 P30874 1/20 0.62
▸ TACR2 P21452 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ PDE4B Q07343 1/20 0.59
▸ PDE4C Q08493 1/20 0.59
▸ PDE4D Q08499 1/20 0.59

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
SCHEMBL13244618 1.00 SSTR3 (0.82) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL3014684 0.93 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL13244672 0.93 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL3009224 0.92 SSTR3 (0.73) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL13244629 0.88 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL3020252 0.88 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL10108750 0.86 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9928505 0.85 SSTR3 (0.64) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL13244682 0.85 SSTR3 (0.64) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL23777544 0.85 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2

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-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-07-22 — — 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-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS GPR119, SSTR3, SSTR2 SSTR3 2/4885KCNH2 618/4885SSTR1 7/4885

“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.

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