SCHEMBL13140498

SCHEMBL13140498

Cc1ncc(-c2ccc(C3CCC(c4cnc(C)[nH]4)CC3)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.42
▸ GSK3B P49841 2/20 0.40
▸ FASN P49327 4/20 0.38
▸ DYRK1A Q13627 1/20 0.35
▸ DGAT1 O75907 5/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ SSTR3 P32745 1/20 0.33

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
SCHEMBL12685102 0.80 — —
SCHEMBL13140499 0.76 CYP2A6 (0.39) CYP2A6GSK3BFASNDYRK1ANPY5R
SCHEMBL15747143 0.74 TSHR (0.36) DGAT1NPY5R
SCHEMBL19087011 0.73 NPY5R (0.41) DGAT1NPY5R
SCHEMBL17571952 0.73 NPY5R (0.45) DGAT1NPY5R
SCHEMBL17571954 0.72 NPY5R (0.47) DGAT1NPY5R
SCHEMBL15747113 0.71 CYP2A6 (0.56) CYP2A6GSK3BGAAMAPTKMT2A
SCHEMBL15586080 0.70 F10 (0.35) MAPTNPY5R
SCHEMBL17066735 0.70 CYP2A6 (0.55) CYP2A6GSK3BGAAMAPTKMT2A
SCHEMBL17066723 0.70 CYP2A6 (0.55) CYP2A6GSK3BGAAMAPTKMT2A

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-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2A6 990/4885GSK3B 984/4885FASN 1248/4885

“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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