SCHEMBL3744714

SCHEMBL3744714

Fc1ccccc1-c1ccc2[nH]c(/C=C/C3CCOCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
TRPA1 O75762 1/20 0.39
GSK3B P49841 3/20 0.36
KCNH2 Q12809 3/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TRPV1 Q8NER1 5/20 0.36
MAPK14 Q16539 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.34
SCD O00767 1/20 0.34
GUSB P08236 1/20 0.34

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
SCHEMBL3744720 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8TRPA1GSK3B
Trifluoroacetic Acid SCHEMBL3745310 0.92 CYP3A4 (0.49) CYP3A4CYP2C9TRPM8TRPA1GSK3B
Trifluoroacetic Acid SCHEMBL2772171 0.92 CYP3A4 (0.49) CYP3A4CYP2C9TRPM8TRPA1GSK3B
SCHEMBL2775061 0.90 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPA1PIK3R1
SCHEMBL3750077 0.90 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8TRPA1PIK3R1
SCHEMBL2773265 0.89 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPA1PIK3R1
SCHEMBL3750516 0.89 CYP3A4 (0.43) CYP3A4CYP2C9TRPM8TRPA1GSK3B
SCHEMBL3750768 0.89 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8TRPA1PIK3R1
SCHEMBL3750518 0.89 CYP3A4 (0.43) CYP3A4CYP2C9TRPM8TRPA1GSK3B
SCHEMBL3749504 0.87 CYP3A4 (0.69) CYP3A4CYP2C9TRPM8TRPA1PIK3R1

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 9 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-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US disclosed
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
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 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.