SCHEMBL2773221

SCHEMBL2773221

Clc1ccc(Cl)c(-c2ccc3[nH]c(C=CC4CCCCC4)nc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
NPC1 O15118 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
GLA P06280 2/20 0.41
PKM P14618 2/20 0.41
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41
CNR1 P21554 2/20 0.39

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
SCHEMBL3744031 1.00 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8NPC1LMNA
SCHEMBL2770423 0.89 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8NPC1LMNA
SCHEMBL3745551 0.89 CYP3A4 (0.53) CYP3A4CYP2C9TRPM8NPC1LMNA
SCHEMBL3753378 0.88 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8NPC1LMNA
SCHEMBL2773647 0.88 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8NPC1LMNA
SCHEMBL3742883 0.86 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8KDM4EALDH1A1
SCHEMBL2774398 0.86 CYP3A4 (0.48) CYP3A4CYP2C9TRPM8KDM4EALDH1A1
SCHEMBL2772611 0.81 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8TRPV1IKBKB
SCHEMBL3755085 0.81 CYP3A4 (0.54) CYP3A4CYP2C9TRPM8TRPV1IKBKB
SCHEMBL3751842 0.80 CYP3A4 (0.57) CYP3A4CYP2C9TRPM8NPC1LMNA

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.