SCHEMBL2770633

SCHEMBL2770633

N#Cc1ccccc1-c1ccc2[nH]c(C=CC3CCCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
CYP2C9 P11712 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 5/20 0.40
LMNA P02545 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
ABL1 P00519 1/20 0.38
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3751793 1.00 CYP3A4 (0.58) CYP3A4CYP2C9TRPM8TRPA1CYP1A2
SCHEMBL2775061 0.85 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPA1ALDH1A1
SCHEMBL3750077 0.85 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPA1ALDH1A1
SCHEMBL2771909 0.84 CYP3A4 (0.60) CYP3A4CYP2C9TRPM8TRPA1CYP1A2
SCHEMBL3748776 0.84 CYP3A4 (0.60) CYP3A4CYP2C9TRPM8TRPA1CYP1A2
SCHEMBL3750768 0.84 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL2773265 0.84 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL3745114 0.83 CYP3A4 (0.56) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL2771790 0.83 CYP3A4 (0.56) CYP3A4CYP2C9TRPM8TRPA1TRPV1
SCHEMBL3751842 0.82 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8LMNACLK4

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
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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO 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.