Sugi Predict

Sugi Predict / Compounds / SCHEMBL4292372

SCHEMBL4292372

SCHEMBL4292372

NCC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.62
▸ TAAR1 Q96RJ0 4/20 0.57
▸ HTR3A P46098 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ APEX1 P27695 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HSD11B1 P28845 1/20 0.50
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ADRB2 P07550 1/20 0.47

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
SCHEMBL7153429 1.00 PNMT (0.62) PNMTTAAR1HTR3ATSHRNFKB1
Hydrochloric Acid SCHEMBL4726721 0.98 PNMT (0.61) PNMTTAAR1HTR3ATSHRNFKB1
SCHEMBL29570765 0.84 SLC6A2 (0.47) PNMTTAAR1HTR3ATSHRNFKB1
SCHEMBL4074768 0.82 TAAR1 (0.80) PNMTTAAR1HTR3ATSHRNFKB1
SCHEMBL17663780 0.81 HSD11B1 (0.51) PNMTHSD11B1CES2CES1ACP3
SCHEMBL6483205 0.81 HSD11B1 (0.51) PNMTHSD11B1CES2CES1ACP3
SCHEMBL1155302 0.81 HSD11B1 (0.51) PNMTHSD11B1CES2CES1ACP3
SCHEMBL17987913 0.81 HSD11B1 (0.51) PNMTHSD11B1CES2CES1GRM8
SCHEMBL24298927 0.79 TAAR1 (0.57) PNMTTAAR1HTR3ATSHRNFKB1
SCHEMBL478137 0.79 PDE2A (0.56) PNMTHSD11B1CES2CES1LMNA

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116856-A1 NOVEL CAPSAICIN ANALOGS AND USES THEREOF YOUNG BIOPHARMA, LLC 2024-04-11 — — US disclosed
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 — — CN disclosed
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 — — US disclosed
WO-2022099284-A1 NOVEL CAPSAICIN ANALOGS AND USES THEREOF YOUNG BIOPHARMA, LLC (US) 2022-05-12 — — WO disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 — — US disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 — — CN disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 — — EP disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 — — EP disclosed
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 — — US disclosed
US-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-06-04 — — US disclosed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
CN-101412711-A Carbamate derivatives and use thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-22 — — CN disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 — — WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 — — WO disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 — — EP disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 — — US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 — — EP disclosed
US-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 — — US disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 — — EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 — — EP 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 (6 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-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PNMT 4426/4885TAAR1 2378/4885HTR3A 4453/4885
US-20240116856-A1 NOVEL CAPSAICIN ANALOGS AND USES THEREOF NPY5R, GPR119, NPY4R PNMT 1914/4885TAAR1 794/4885HTR3A 818/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PNMT 4426/4885TAAR1 2378/4885HTR3A 4453/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PNMT 4426/4885TAAR1 2378/4885HTR3A 4453/4885
US-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP PNMT 3787/4885TAAR1 4625/4885HTR3A 2172/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PNMT 4426/4885TAAR1 2378/4885HTR3A 4453/4885

“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.