SCHEMBL3755073

SCHEMBL3755073

COc1ccc(F)cc1-c1ccc2[nH]c(C=CC3CCC(F)(F)CC3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ABL1 P00519 1/20 0.39
BRD4 O60885 7/20 0.39
NR3C1 P04150 3/20 0.35
PGR P06401 3/20 0.35
NR3C2 P08235 2/20 0.35
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
AMY1A P0DUB6 1/20 0.35
TEAD2 Q15562 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3755070 1.00 CYP3A4 (0.40) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL3750052 0.90 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL2771289 0.90 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL3753036 0.86 CYP3A4 (0.39) CYP3A4CYP2C9TRPM8ABL1TEAD2
SCHEMBL3753032 0.86 CYP3A4 (0.39) CYP3A4CYP2C9TRPM8ABL1TEAD2
SCHEMBL3749608 0.84 CYP3A4 (0.37) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL3749611 0.84 CYP3A4 (0.37) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL3749615 0.84 CYP3A4 (0.37) CYP3A4CYP2C9TRPM8ABL1BRD4
SCHEMBL3748411 0.84 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8TEAD2
SCHEMBL3748409 0.84 MAP4K1 (0.37) CYP3A4CYP2C9TRPM8TEAD2

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-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US claimed
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 US claimed
US-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US disclosed
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 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-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CYP3A4 2735/4885CYP2C9 2805/4885TRPM8 1/4885

“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.