SCHEMBL3751842

SCHEMBL3751842

C(=C/C1CCCCC1)\c1nc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 3/20 0.40
HSP90AA1 P07900 1/20 0.40
CHEK1 O14757 1/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PADI4 Q9UM07 2/20 0.35
USP30 Q70CQ3 1/20 0.35
DYRK3 O43781 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
SCHEMBL2771294 1.00 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL3740321 0.88 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8CHEK1
SCHEMBL2774965 0.88 CYP3A4 (0.51) CYP3A4CYP2C9TRPM8CHEK1
SCHEMBL2773265 0.85 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8NPC1ALDH1A1
SCHEMBL3748776 0.85 CYP3A4 (0.60) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL2771909 0.85 CYP3A4 (0.60) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL3750768 0.85 CYP3A4 (0.63) CYP3A4CYP2C9TRPM8NPC1ALDH1A1
SCHEMBL3750520 0.84 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL2773346 0.84 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8KDM4ENPC1
SCHEMBL2775061 0.83 CYP3A4 (0.61) CYP3A4CYP2C9TRPM8NPC1ALDH1A1

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.