SCHEMBL2945296

SCHEMBL2945296

CN1CCC(C)(NC(=O)c2ccc(NC(=O)Cc3ccc(Br)c(Oc4cc(Cl)cc(C#N)c4)c3F)c(Cl)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
ANO1 Q5XXA6 5/20 0.34
MCHR1 Q99705 2/20 0.33
FLT3 P36888 1/20 0.32
KCNH2 Q12809 2/20 0.32
DGAT2 Q96PD7 5/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2950902 0.92 CYP3A4 (0.37) CYP3A4ANO1KCNH2DGAT2
SCHEMBL2950737 0.90 DGAT2 (0.41) DGAT2
SCHEMBL3913666 0.87 KCNH2 (0.35) CYP3A4ANO1KCNH2DGAT2
SCHEMBL2942807 0.86 KCNH2 (0.35) CYP3A4KCNH2
SCHEMBL3021936 0.85 CCR2 (0.36) CYP3A4MCHR1KCNH2
SCHEMBL2948465 0.85 MCHR1 (0.39) CYP3A4MCHR1KCNH2
SCHEMBL2949641 0.85 UTS2R (0.41) CYP3A4FLT3
SCHEMBL4602736 0.84 CYP3A4 (0.35) CYP3A4KCNH2
SCHEMBL2949608 0.84 CYP3A4 (0.36) CYP3A4ANO1KCNH2
SCHEMBL2948319 0.83 CYP3A4 (0.37) CYP3A4FLT3KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 CYP3A4 889/4885ANO1 3734/4885MCHR1 3525/4885

“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.