SCHEMBL416548

SCHEMBL416548

COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.42
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TACR1 P25103 1/20 0.38
BCHE P06276 5/20 0.38
ACHE P22303 5/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL416691 0.83 PLA2G7 (0.46) PLA2G7AGTR1TACR1BCHEACHE
SCHEMBL415614 0.83 PLA2G7 (0.41) PLA2G7AGTR1ALDH1A1HPGDTACR1
SCHEMBL416339 0.82 TACR1 (0.41) PLA2G7AGTR1ALDH1A1HPGDTACR1
SCHEMBL416144 0.80 CDK9 (0.41) PLA2G7TACR1BCHEACHECHRM2
SCHEMBL415358 0.79 PLA2G7 (0.42) PLA2G7TACR1BCHEACHECHRM2
SCHEMBL413504 0.79 PLA2G7 (0.42) PLA2G7AGTR1ALDH1A1TACR1BCHE
SCHEMBL414508 0.79 GABRP (0.40) PLA2G7AGTR1BCHEACHECHRM2
SCHEMBL416101 0.78 POLB (0.43) PLA2G7BCHEACHECHRM2CHRM1
SCHEMBL417189 0.78 PLA2G7 (0.47) PLA2G7AGTR1TACR1
SCHEMBL2486787 0.78 PLA2G7 (0.39) PLA2G7GAATDP1CCNCCDK8

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 PLA2G7 3215/4885AGTR1 2256/4885ALDH1A1 455/4885

“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.