SCHEMBL418373

SCHEMBL418373

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
PPARG P37231 3/20 0.40
TNF P01375 2/20 0.39
PPARA Q07869 1/20 0.38
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PLA2G7 Q13093 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 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 0.95 NPC1 (0.43) NPC1PPARGTNFPPARABCHE
SCHEMBL416574 0.93 TNF (0.39) TNFBCHEACHECHRM2CHRM1
SCHEMBL417880 0.90 NPC1 (0.47) NPC1PPARGPPARATP53RXFP1
SCHEMBL414541 0.89 POLB (0.41) NPC1PPARGPPARABCHEACHE
SCHEMBL414591 0.89 NPC1 (0.41) NPC1PPARGTNFPPARABCHE
SCHEMBL417909 0.86 NPC1 (0.39) NPC1PPARGPPARABCHEACHE
SCHEMBL416672 0.76 NR3C1 (0.42) NPC1TNFBCHEACHECHRM2
SCHEMBL416328 0.76 PPARD (0.37) TP53
SCHEMBL417990 0.74 LMNA (0.43) NPC1BCHEACHECHRM2CHRM1
SCHEMBL414383 0.73 LMNA (0.47) NPC1BCHEACHECHRM2CHRM1

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 1 patent. 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 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 2083/4885TNF 2734/4885

“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.