SCHEMBL3750807

SCHEMBL3750807

FC1=CCC(C=Cc2nc3cc(-c4ccccc4Cl)ccc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
TRPA1 O75762 1/20 0.37
NFKB1 P19838 1/20 0.37
RECQL P46063 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL3750802 1.00 CYP3A4 (0.46) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL3750805 1.00 CYP3A4 (0.46) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL3753781 0.90 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8NPC1ALDH1A1
SCHEMBL3753783 0.90 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8NPC1ALDH1A1
SCHEMBL3753784 0.90 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8NPC1ALDH1A1
SCHEMBL3740575 0.87 TRPM8 (0.63) CYP3A4CYP2C9TRPM8LMNATRPA1
SCHEMBL3740576 0.87 TRPM8 (0.63) CYP3A4CYP2C9TRPM8LMNATRPA1
SCHEMBL3740571 0.87 TRPM8 (0.63) CYP3A4CYP2C9TRPM8LMNATRPA1
SCHEMBL3748140 0.85 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL3748144 0.85 CYP3A4 (0.47) CYP3A4CYP2C9TRPM8TRPA1TRPV1

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.