SCHEMBL8915633

SCHEMBL8915633

CCC(=O)C(c1ccccc1C(F)(F)F)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
POLQ O75417 1/20 0.40
ACP3 P15309 1/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
MC4R P32245 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
NOX1 Q9Y5S8 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
SCHEMBL753073 0.83 POLQ (0.47) CNR2POLQACP3CYP1A2CYP3A4
SCHEMBL8921824 0.83 ACP3 (0.43) CNR2POLQACP3MAPK1POLB
SCHEMBL2553597 0.82 KDM4E (0.43) CNR2POLQACP3MAPK1POLB
SCHEMBL8907146 0.80 ACP3 (0.41) CNR2POLQACP3MAPK1POLB
SCHEMBL888787 0.80 POLQ (0.41) CNR2POLQACP3HSD11B1ALDH1A1
SCHEMBL8917492 0.80 MC4R (0.41) CNR2MC4RCYP3A4KDM4EKMT2A
SCHEMBL8916563 0.80 MC4R (0.41) CNR2MC4RCYP3A4KDM4EKMT2A
SCHEMBL8915601 0.80 MC4R (0.41) CNR2MC4RCYP3A4KDM4EKMT2A
SCHEMBL19334008 0.78 EPHX2 (0.39) CNR2POLQACP3MAPK1POLB
SCHEMBL8916466 0.76 NISCH (0.47) KDM4EKMT2AALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (2 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CNR2 3321/4885POLQ 910/4885ACP3 2758/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CNR2 3456/4885POLQ 1055/4885ACP3 3478/4885

“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.