SCHEMBL3756066

SCHEMBL3756066

COc1cccc(OC)c1-c1ccc2[nH]c(/C=C/C3CCCCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
ABL1 P00519 3/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
KCNH2 Q12809 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
LCK P06239 1/20 0.33
LYN P07948 1/20 0.33
SRC P12931 1/20 0.33
CSK P41240 1/20 0.33
BTK Q06187 1/20 0.33
PTK6 Q13882 1/20 0.33

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
SCHEMBL2771210 1.00 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8ABL1GRIA1
SCHEMBL3745284 0.93 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8GRIA1CACNG8
SCHEMBL2773145 0.93 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8GRIA1CACNG8
SCHEMBL3753036 0.88 CYP3A4 (0.39) CYP3A4CYP2C9TRPM8ABL1GRIA1
SCHEMBL3753032 0.88 CYP3A4 (0.39) CYP3A4CYP2C9TRPM8ABL1GRIA1
SCHEMBL2770420 0.85 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8KCNH2
SCHEMBL3745138 0.85 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8KCNH2
SCHEMBL2773346 0.84 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8ABL1KDM4E
SCHEMBL3750520 0.84 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8ABL1KDM4E
SCHEMBL3746138 0.84 CYP3A4 (0.36) CYP3A4CYP2C9TRPM8ABL1GRIA1

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.