SCHEMBL19205747

SCHEMBL19205747

C[C@@H](c1ccc(Cl)cc1)N(C)c1nccnc1-c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADK P55263 1/20 0.35
▸ AKT1 P31749 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL19205748 1.00 CYP2C9 (0.38) CYP2C9CYP1A2CYP2C19ADKAKT1
SCHEMBL18484133 0.88 ACHE (0.35) ADKTSHRL3MBTL1PDE3BPDE3A
SCHEMBL18484135 0.88 ACHE (0.35) ADKTSHRL3MBTL1PDE3BPDE3A
SCHEMBL19205658 0.86 EGFR (0.40) CYP2C9CYP1A2CYP2C19ALDH1A1CHRM2
SCHEMBL19205656 0.86 EGFR (0.40) CYP2C9CYP1A2CYP2C19ALDH1A1CHRM2
SCHEMBL19205814 0.86 EGFR (0.40) CYP2C9CYP1A2CYP2C19ALDH1A1CHRM2
SCHEMBL18448785 0.79 KCNH2 (0.41) CYP2C9CYP1A2CYP2C19ADKALDH1A1
SCHEMBL19205711 0.77 CHRM2 (0.38) CYP2C9CYP2C19AKT1ADRB2CHRM2
SCHEMBL19205713 0.77 CHRM2 (0.38) CYP2C9CYP2C19AKT1ADRB2CHRM2
SCHEMBL18448282 0.74 MAOA (0.45) ADKALDH1A1HTTL3MBTL1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 — — CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 — — US disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 — — US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 — — US disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 — — US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — 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 (5 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC CYP2C9 1279/4885CYP1A2 914/4885CYP2C19 1726/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC CYP2C9 1279/4885CYP1A2 914/4885CYP2C19 1726/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC CYP2C9 1463/4885CYP1A2 1065/4885CYP2C19 1925/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC CYP2C9 1501/4885CYP1A2 1245/4885CYP2C19 2270/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC CYP2C9 1463/4885CYP1A2 1065/4885CYP2C19 1925/4885

“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.

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