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SCHEMBL2773647

SCHEMBL2773647

COc1ccc(Cl)cc1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ BRD4 O60885 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ AMY1A P0DUB6 3/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ PDE4D Q08499 1/20 0.35
▸ GLA P06280 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 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
SCHEMBL3753378 1.00 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8BRD4SMN1; SMN2
SCHEMBL3746962 0.89 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8BRD4SMN1; SMN2
SCHEMBL2774248 0.89 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8BRD4SMN1; SMN2
SCHEMBL2771289 0.88 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8BRD4ABL1
SCHEMBL3750052 0.88 CYP3A4 (0.50) CYP3A4CYP2C9TRPM8BRD4ABL1
SCHEMBL2773221 0.88 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8BRD4SMN1; SMN2
SCHEMBL3744031 0.88 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8BRD4SMN1; SMN2
SCHEMBL2770420 0.83 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8BRD4CCNT1
SCHEMBL3745138 0.83 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8BRD4CCNT1
SCHEMBL3742883 0.83 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8SMN1; SMN2GAA

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.