SCHEMBL3021936

SCHEMBL3021936

N#Cc1cc(Cl)cc(Oc2c(Br)ccc(CC(=O)Nc3ccc(C(=O)NCCN4CCC(F)(F)CC4)cc3Cl)c2F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.36
CYP3A4 P08684 2/20 0.35
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MCHR1 Q99705 3/20 0.33
KCNH2 Q12809 2/20 0.33
CCR3 P51677 1/20 0.33
NAMPT P43490 1/20 0.33
DRD4 P21917 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CCR1 P32246 1/20 0.32
F10 P00742 1/20 0.32
PLD2 O14939 1/20 0.32
PLD1 Q13393 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
SCHEMBL2948465 0.93 MCHR1 (0.39) CCR2CYP3A4MCHR1KCNH2F10
SCHEMBL2948537 0.87 SLC2A1 (0.43) CCR2CYP3A4MCHR1F10
SCHEMBL2948319 0.86 CYP3A4 (0.37) CYP3A4WNT3ATNKS2KCNH2CCR3
SCHEMBL2948322 0.86 CYP3A4 (0.37) CYP3A4WNT3ATNKS2KCNH2CCR3
SCHEMBL2943003 0.86 CYP3A4 (0.41) CCR2CYP3A4MCHR1NAMPTDRD4
SCHEMBL2950613 0.86 MCHR1 (0.37) CCR2MCHR1CD274F10
SCHEMBL2945296 0.85 CYP3A4 (0.37) CYP3A4MCHR1KCNH2
SCHEMBL2942770 0.85 POLB (0.43) CYP3A4KCNH2CD274
SCHEMBL2947660 0.85 CYP3A4 (0.39) CCR2CYP3A4WNT3ATNKS2MCHR1
SCHEMBL2949420 0.85 CYP3A4 (0.39) CCR2CYP3A4WNT3ATNKS2MCHR1

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 CCR2 1786/4885CYP3A4 889/4885WNT3A 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.