Sugi Predict

Sugi Predict / Compounds / SCHEMBL2445245

SCHEMBL2445245

SCHEMBL2445245

COCCOc1nc(-c2ccccc2C(F)(F)F)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ CYP1A2 P05177 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSD11B1 P28845 4/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ACP1 P24666 2/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ NPY5R Q15761 1/20 0.31

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
SCHEMBL2481881 0.92 TRPM8 (0.44) TRPM8CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL2445464 0.92 TRPM8 (0.49) TRPM8CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL2446624 0.91 TRPM8 (0.46) TRPM8CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL12331742 0.91 TRPM8 (0.47) TRPM8CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL2448023 0.91 TRPM8 (0.47) TRPM8CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL2443853 0.90 TRPM8 (0.59) TRPM8HSD11B1ACP1CRHR1NPY5R
SCHEMBL2446656 0.89 TRPM8 (0.59) TRPM8HSD11B1ACP1CRHR1NPY5R
Hydrochloric Acid SCHEMBL19580137 0.89 TRPM8 (0.59) TRPM8HSD11B1ACP1CRHR1NPY5R
SCHEMBL2446661 0.89 TRPM8 (0.59) TRPM8HSD11B1ACP1CRHR1NPY5R
SCHEMBL19580174 0.89 TRPM8 (0.46) TRPM8CYP1A2CYP2C19HSD17B10ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 — — US disclosed
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-20 — — US disclosed
US-9409915-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-08-09 — — US disclosed
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 — — US disclosed
US-9023846-B2 Substituted AZA-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-05 — — US disclosed
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-06-05 — — US disclosed
US-8680098-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-03-25 — — US disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 — — 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 (4 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-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885CYP1A2 3523/4885CYP2C19 2184/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885CYP1A2 3523/4885CYP2C19 2184/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885CYP1A2 3523/4885CYP2C19 2184/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885CYP1A2 3523/4885CYP2C19 2184/4885

“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.