SCHEMBL2948322

SCHEMBL2948322

CC1CC[C@@H](C)N1CCNC(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
PDGFRA P16234 1/20 0.33
SLC2A1 P11166 1/20 0.33
WNT3A P56704 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KCNH2 Q12809 2/20 0.32
CCR3 P51677 1/20 0.32
CFD P00746 1/20 0.32
CXCR6 O00574 1/20 0.31
EPHX2 P34913 2/20 0.31
FLT3 P36888 1/20 0.31
GCGR P47871 2/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL2948319 1.00 CYP3A4 (0.37) CYP3A4PDGFRASLC2A1WNT3ATNKS2
SCHEMBL2948465 0.89 MCHR1 (0.39) CYP3A4SLC2A1KCNH2
SCHEMBL3021936 0.86 CCR2 (0.36) CYP3A4WNT3ATNKS2KCNH2CCR3
SCHEMBL2944457 0.86 CYP3A4 (0.36) CYP3A4KCNH2
SCHEMBL2949641 0.85 UTS2R (0.41) CYP3A4FLT3
SCHEMBL2947660 0.84 CYP3A4 (0.39) CYP3A4SLC2A1WNT3ATNKS2KCNH2
SCHEMBL2945361 0.84 CYP3A4 (0.34) CYP3A4KCNH2
SCHEMBL2949608 0.84 CYP3A4 (0.36) CYP3A4KCNH2EPHX2
SCHEMBL2948537 0.83 SLC2A1 (0.43) CYP3A4SLC2A1
SCHEMBL2945296 0.83 CYP3A4 (0.37) CYP3A4KCNH2FLT3

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 889/4885PDGFRA 4699/4885SLC2A1 3007/4885

“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.