SCHEMBL2200284

SCHEMBL2200284

NNc1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.49
EPHX2 P34913 2/20 0.48
SYK P43405 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
P2RX1 P51575 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KIF11 P52732 1/20 0.45
CTSC P53634 1/20 0.44

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
Hydrochloric Acid SCHEMBL1117983 0.98 SLC22A12 (0.48) SLC22A12EPHX2SYKALDH1A1GAA
SCHEMBL9189629 0.84 SLC22A12 (0.51) SLC22A12EPHX2SYKALDH1A1GAA
SCHEMBL11636765 0.84 ABL1 (0.48) EPHX2MAPT
SCHEMBL27927365 0.82 SLC22A12 (0.50) SLC22A12EPHX2SYKALDH1A1GAA
Hydrochloric Acid SCHEMBL11635732 0.82 ABL1 (0.47) EPHX2MAPT
SCHEMBL1674894 0.81 NPC1 (0.49) SLC22A12EPHX2SYKALDH1A1GAA
SCHEMBL27927267 0.81 ALDH1A1 (0.51) SLC22A12EPHX2SYKALDH1A1GAA
SCHEMBL27933860 0.81 P2RX1 (0.50) SLC22A12EPHX2SYKALDH1A1GAA
SCHEMBL1921305 0.81 KIF11 (0.58) SLC22A12EPHX2SYKALDH1A1GAA
SCHEMBL4160849 0.79 CTSC (0.59) SLC22A12EPHX2SYKALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119076-B Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors 默沙东有限责任公司 2025-01-10 CN disclosed
EP-3788043-B1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
EP-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 EP disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
EP-3788043-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme Corp. (US) 2021-03-10 EP disclosed
CN-112119076-A Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2020-12-22 CN disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed
EP-0601063-A1 FLUORINE-CONTAINING DIAMINES, POLYAMIDES, AND POLYIMIDES. DU PONT (US) 1994-06-15 EP disclosed
WO-1993004033-A1 FLUORINE-CONTAINING DIAMINES, POLYAMIDES, AND POLYIMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-04 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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 SLC22A12 4033/4885EPHX2 2646/4885SYK 1434/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 SLC22A12 4033/4885EPHX2 2646/4885SYK 1434/4885

“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.