SCHEMBL10260745

SCHEMBL10260745

COc1ccc(-n2nnc(C(C)C)n2)cc1CCCCCCc1nnc(C(C)C)o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.32
HTR2A P28223 1/20 0.32
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL10260742 1.00 SPHK2 (0.32) SPHK2HTR2AABCB1ABCG2
SCHEMBL10261021 0.97 HTR2A (0.31) HTR2AABCB1ABCG2
SCHEMBL10293086 0.89 SPHK2 (0.33) SPHK2HTR2A
SCHEMBL10292931 0.89 SPHK2 (0.33) SPHK2HTR2A
SCHEMBL10261027 0.88
SCHEMBL10292820 0.87 SPHK2 (0.32) SPHK2HTR2AABCB1ABCG2
SCHEMBL10293087 0.85 KDM4E (0.31) SPHK2ABCB1ABCG2
SCHEMBL10260300 0.83
SCHEMBL10260980 0.82
SCHEMBL10260610 0.80 ABCB1 (0.30) ABCB1ABCG2

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-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 SPHK2 2189/4885HTR2A 3616/4885ABCB1 156/4885

“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.