SCHEMBL416574

SCHEMBL416574

COc1ccc(C)cc1CN(C)C(=O)CCCn1ccc2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MCL1 Q07820 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CNR1 P21554 1/20 0.36
PLA2G7 Q13093 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
HTR7 P34969 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
SCHEMBL418373 0.93 NPC1 (0.41) TNFBCHEACHECHRM2CHRM1
SCHEMBL416248 0.87 NPC1 (0.43) TNFBCHEACHECHRM2CHRM1
SCHEMBL417880 0.85 NPC1 (0.47) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL414591 0.83 NPC1 (0.41) TNFBCHEACHECHRM2CHRM1
SCHEMBL414541 0.83 POLB (0.41) BCHEACHECHRM2CHRM1
SCHEMBL417909 0.81 NPC1 (0.39) BCHEACHECHRM2CHRM1CNR1
SCHEMBL416672 0.76 NR3C1 (0.42) TNFBCHEACHECHRM2CHRM1
SCHEMBL417990 0.74 LMNA (0.43) BCHEACHECHRM2CHRM1
SCHEMBL414383 0.73 LMNA (0.47) BCHEACHECHRM2CHRM1
SCHEMBL415614 0.71 PLA2G7 (0.41) 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 3 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 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 TNF 2734/4885BCHE 3039/4885ACHE 4296/4885

“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.