SCHEMBL2774965

SCHEMBL2774965

Oc1cccc(-c2ccc3[nH]c(C=CC4CCCCC4)nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
SRC P12931 1/20 0.39
AAK1 Q2M2I8 1/20 0.36
JAK2 O60674 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
JAK1 P23458 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
TYK2 P29597 1/20 0.36
CCND3 P30281 1/20 0.36
JAK3 P52333 1/20 0.36
HSD17B1 P14061 4/20 0.36
HSD17B2 P37059 4/20 0.36
PTPN1 P18031 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3740321 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8SRCAAK1
SCHEMBL3751842 0.88 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8CHEK1
SCHEMBL2771294 0.88 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8CHEK1
SCHEMBL3750520 0.83 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8TYK2
SCHEMBL2773346 0.83 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8TYK2
SCHEMBL3740562 0.79 TRPM8 (0.67) CYP3A4CYP2C9TRPM8
SCHEMBL2771210 0.79 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8SRC
SCHEMBL3740565 0.79 TRPM8 (0.67) CYP3A4CYP2C9TRPM8
SCHEMBL3756066 0.79 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8SRC
SCHEMBL3750768 0.79 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8PTPN1SCD

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 6 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
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO 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.