SCHEMBL18706014

SCHEMBL18706014

CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2cnnc2C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CNR1 P21554 1/20 0.42
P2RY14 Q15391 2/20 0.41
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
ANO1 Q5XXA6 4/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
JAK2 O60674 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
LMNA P02545 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL18706305 0.93 CNR1 (0.42) HSD11B1CNR1P2RY14TP53MDM2
SCHEMBL18706537 0.89 P2RY14 (0.43) HSD11B1CNR1P2RY14POLBMAPT
SCHEMBL18706480 0.89 HSD11B1 (0.39) HSD11B1CNR1P2RY14ANO1NFKB1
SCHEMBL18706255 0.88 HSD11B1 (0.45) HSD11B1CNR1P2RY14TP53MDM2
SCHEMBL18706212 0.87 P2RY14 (0.55) P2RY14
SCHEMBL18706238 0.85 CNR1 (0.41) HSD11B1CNR1P2RY14TP53MDM2
SCHEMBL18706366 0.85 CNR1 (0.43) HSD11B1CNR1P2RY14TP53MDM2
SCHEMBL18285304 0.83 CNR1 (0.42) HSD11B1CNR1P2RY14TP53MDM2
SCHEMBL18172409 0.82 P2RY14 (0.42) HSD11B1CNR1P2RY14TP53MDM2
SCHEMBL18172408 0.81 P2RY14 (0.47) HSD11B1CNR1P2RY14TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137566-B Triazole derivatives 豪夫迈·罗氏有限公司 2021-05-25 CN claimed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP claimed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US claimed
US-20180237401-A1 TRIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US claimed
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO claimed
CN-108137566-B Triazole derivatives 豪夫迈·罗氏有限公司 2021-05-25 CN disclosed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US disclosed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US disclosed
US-20180237401-A1 TRIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO disclosed
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO 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 (2 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-20180237401-A1 TRIAZOLE DERIVATIVES MC2R, MC3R, OXTR HSD11B1 104/4885CNR1 120/4885P2RY14 3532/4885
US-10273217-B2 Triazole derivatives MC2R, MC3R, OXTR HSD11B1 104/4885CNR1 120/4885P2RY14 3532/4885

“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.