SCHEMBL416248

SCHEMBL416248

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 1/20 0.41
BCHE P06276 5/20 0.40
ACHE P22303 5/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
TNF P01375 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL418373 0.95 NPC1 (0.41) NPC1PPARGPPARABCHEACHE
SCHEMBL417880 0.95 NPC1 (0.47) NPC1PPARGPPARATP53RXFP1
SCHEMBL414591 0.93 NPC1 (0.41) NPC1PPARGPPARABCHEACHE
SCHEMBL414541 0.93 POLB (0.41) NPC1PPARGPPARABCHEACHE
SCHEMBL417909 0.91 NPC1 (0.39) NPC1PPARGPPARABCHEACHE
SCHEMBL416574 0.87 TNF (0.39) BCHEACHECHRM2CHRM1TNF
SCHEMBL416672 0.80 NR3C1 (0.42) NPC1BCHEACHECHRM2CHRM1
SCHEMBL416328 0.78 PPARD (0.37) TP53CDK4CCND1
SCHEMBL415614 0.75 PLA2G7 (0.41) BCHEACHECHRM2CHRM1PLA2G7
SCHEMBL414508 0.75 GABRP (0.40) BCHEACHECHRM2CHRM1PLA2G7

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 2 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

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 76/4885PPARG 2083/4885PPARA 1838/4885

“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.