SCHEMBL3020252

SCHEMBL3020252

CCn1cc(C2(c3nnc(C)o3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.81
KCNH2 Q12809 20/20 0.81
TACR2 P21452 1/20 0.63
PDE4A P27815 1/20 0.63
SSTR1 P30872 1/20 0.63
SSTR5 P35346 1/20 0.63
PDE4B Q07343 1/20 0.63
PDE4C Q08493 1/20 0.63
PDE4D Q08499 1/20 0.63

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
SCHEMBL13244629 1.00 SSTR3 (0.81) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL13244681 0.93 SSTR3 (0.70) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL3004007 0.93 SSTR3 (0.70) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL13244856 0.92 SSTR3 (0.68) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL13286436 0.92 SSTR3 (0.81) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL13244657 0.92 SSTR3 (0.81) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL10108750 0.88 SSTR3 (0.81) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL3018513 0.88 SSTR3 (0.82) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL13244618 0.88 SSTR3 (0.82) SSTR3KCNH2TACR2PDE4ASSTR1
SCHEMBL23777544 0.88 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-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 618/4885TACR2 161/4885

“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.