SCHEMBL2947660

SCHEMBL2947660

Cc1cc(C(=O)NCCN2CCC(O)CC2)ccc1NC(=O)Cc1ccc(Br)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
SLC2A1 P11166 3/20 0.37
WNT3A P56704 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MCHR1 Q99705 4/20 0.34
CCR2 P41597 2/20 0.34
DRD4 P21917 1/20 0.34
CCR3 P51677 1/20 0.34
NAMPT P43490 1/20 0.34
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 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
SCHEMBL2948537 0.94 SLC2A1 (0.43) CYP3A4SLC2A1MCHR1CCR2
SCHEMBL2943003 0.93 CYP3A4 (0.41) CYP3A4SLC2A1MCHR1CCR2DRD4
SCHEMBL2942770 0.92 POLB (0.43) CYP3A4SLC2A1KCNH2POLB
SCHEMBL2949420 0.92 CYP3A4 (0.39) CYP3A4SLC2A1WNT3ATNKS2MCHR1
SCHEMBL2948814 0.88 SLC2A1 (0.43) CYP3A4SLC2A1MCHR1CCR2KCNH2
SCHEMBL2948465 0.88 MCHR1 (0.39) CYP3A4SLC2A1MCHR1CCR2KCNH2
SCHEMBL4638309 0.86 CYP3A4 (0.38) CYP3A4SLC2A1KCNH2
SCHEMBL2949561 0.85 MCHR1 (0.38) SLC2A1MCHR1POLB
SCHEMBL3021936 0.85 CCR2 (0.36) CYP3A4WNT3ATNKS2MCHR1CCR2
SCHEMBL2948319 0.84 CYP3A4 (0.37) CYP3A4SLC2A1WNT3ATNKS2DRD4

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 889/4885SLC2A1 3007/4885WNT3A 4321/4885

“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.