SCHEMBL1995308

SCHEMBL1995308

FC(F)(F)c1cccnc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
HSD11B1 P28845 1/20 0.41
SSTR4 P31391 2/20 0.39
CXCR4 P61073 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
LMNA P02545 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CD38 P28907 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NFE2L2 Q16236 2/20 0.35
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
CXCL8 P10145 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL30079571 1.00 EPHX2 (0.44) EPHX2HSD11B1SSTR4CXCR4TAAR1
Hydrochloric Acid SCHEMBL506720 0.98 EPHX2 (0.42) EPHX2HSD11B1SSTR4CXCR4TAAR1
Hydrochloric Acid SCHEMBL30851840 0.98 EPHX2 (0.42) EPHX2HSD11B1SSTR4CXCR4TAAR1
SCHEMBL30852043 0.85 SSTR4 (0.35) EPHX2HSD11B1SSTR4CXCR4ALDH1A1
SCHEMBL17490849 0.82 EPHX2 (0.45) EPHX2HSD11B1SSTR4CXCR4TAAR1
SCHEMBL2301406 0.80 CXCR4 (0.45) EPHX2HSD11B1SSTR4CXCR4TAAR1
SCHEMBL9947018 0.80 EPHX2 (0.44) EPHX2HSD11B1SSTR4CXCR4TAAR1
SCHEMBL2305519 0.80 EPHX2 (0.44) EPHX2HSD11B1SSTR4CXCR4TAAR1
SCHEMBL14420867 0.80 EPHX2 (0.47) EPHX2HSD11B1SSTR4CXCR4TAAR1
SCHEMBL10228855 0.80 EPHX2 (0.44) EPHX2HSD11B1SSTR4CXCR4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279802-B Preparation method of 2-chloromethyl-3-trifluoromethylpyridine 江苏美迪克化学品有限公司 2022-03-08 CN claimed
CN-112279802-A Preparation method of 2-chloromethyl-3-trifluoromethylpyridine 江苏美迪克化学品有限公司 2021-01-29 CN claimed
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
CN-112279802-B Preparation method of 2-chloromethyl-3-trifluoromethylpyridine 江苏美迪克化学品有限公司 2022-03-08 CN disclosed
CN-112279802-B Preparation method of 2-chloromethyl-3-trifluoromethylpyridine 江苏美迪克化学品有限公司 2022-03-08 CN disclosed
CN-112279802-B Preparation method of 2-chloromethyl-3-trifluoromethylpyridine 江苏美迪克化学品有限公司 2022-03-08 CN disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 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 (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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN EPHX2 2353/4885HSD11B1 1039/4885SSTR4 2740/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 EPHX2 1833/4885HSD11B1 978/4885SSTR4 134/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 EPHX2 2323/4885HSD11B1 2992/4885SSTR4 1384/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 EPHX2 2316/4885HSD11B1 377/4885SSTR4 757/4885

“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.