SCHEMBL3748776

SCHEMBL3748776

Cc1ccccc1-c1ccc2[nH]c(/C=C/C3CCCCC3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 1/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
TRPA1 O75762 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38
BACE1 P56817 5/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TRPV1 Q8NER1 5/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL2771909 1.00 CYP3A4 (0.60) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL2773265 0.87 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL3750768 0.87 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL2775061 0.85 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPA1BACE1
SCHEMBL3750077 0.85 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPA1BACE1
SCHEMBL2771294 0.85 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8MAPTKDM4E
SCHEMBL3751842 0.85 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8MAPTKDM4E
SCHEMBL3751793 0.84 CYP3A4 (0.58) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL2770633 0.84 CYP3A4 (0.58) CYP3A4CYP2C9TRPM8TRPA1MAPT
SCHEMBL2773316 0.84 CYP3A4 (0.56) CYP3A4CYP2C9TRPM8TRPV1SMN1; SMN2

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.