SCHEMBL417909

SCHEMBL417909

COc1ccc(F)cc1CN(C)C(=O)CCCn1ccc2cc(C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARG P37231 3/20 0.38
CNR1 P21554 3/20 0.37
P2RX7 Q99572 1/20 0.37
HTR6 P50406 1/20 0.37
PPARA Q07869 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
BCHE P06276 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ACHE P22303 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL416248 0.91 NPC1 (0.43) NPC1PPARGPPARABCHECHRM2
SCHEMBL417880 0.88 NPC1 (0.47) NPC1PPARGPPARATP53RXFP1
SCHEMBL414541 0.86 POLB (0.41) NPC1PPARGPPARABCHECHRM2
SCHEMBL414591 0.86 NPC1 (0.41) NPC1PPARGPPARABCHECHRM2
SCHEMBL418373 0.86 NPC1 (0.41) NPC1PPARGPPARABCHECHRM2
SCHEMBL416672 0.81 NR3C1 (0.42) NPC1HTR6NR3C1PGRNR3C2
SCHEMBL416574 0.81 TNF (0.39) CNR1BCHECHRM2CHRM1ACHE
SCHEMBL414385 0.76 PLA2G7 (0.41)
SCHEMBL413159 0.72 FFAR4 (0.55) FFAR4P2RX7
SCHEMBL416328 0.71 PPARD (0.37) FFAR4P2RX7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 NPC1 76/4885FFAR4 3303/4885PPARG 2083/4885

“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.