SCHEMBL3750503

SCHEMBL3750503

FC(F)(F)c1cc(-c2ccc3[nH]c(/C=C/C4CCCCC4)nc3c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
IDO1 P14902 1/20 0.34
GRIN2B Q13224 3/20 0.33
GRIN1 Q05586 1/20 0.32
MAP4K4 O95819 1/20 0.32
PDE10A Q9Y233 3/20 0.32
NOTUM Q6P988 1/20 0.32
CHEK1 O14757 1/20 0.31
CREBBP Q92793 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
PARP16 Q8N5Y8 1/20 0.31

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
SCHEMBL3750507 1.00 CYP3A4 (0.55) CYP3A4CYP2C9TRPM8TLR9TLR7
SCHEMBL3744535 0.90 CYP3A4 (0.44) CYP3A4CYP2C9TRPM8TLR9TLR7
SCHEMBL3744540 0.90 CYP3A4 (0.44) CYP3A4CYP2C9TRPM8TLR9TLR7
Hydrochloric Acid SCHEMBL2785181 0.89 CYP3A4 (0.43) CYP3A4CYP2C9TRPM8TLR9TLR7
Hydrochloric Acid SCHEMBL3745534 0.89 CYP3A4 (0.43) CYP3A4CYP2C9TRPM8TLR9TLR7
SCHEMBL3740228 0.81 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8
SCHEMBL3742911 0.81 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8LIPG
SCHEMBL3740231 0.81 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8
SCHEMBL3742908 0.81 CYP3A4 (0.62) CYP3A4CYP2C9TRPM8LIPG
SCHEMBL3740565 0.80 TRPM8 (0.67) CYP3A4CYP2C9TRPM8

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.