SCHEMBL336998

SCHEMBL336998

Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.77
TACR1 P25103 18/20 0.67
CYP3A4 P08684 10/20 0.67
TACR3 P29371 9/20 0.65

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
SCHEMBL30981004 1.00 GPBAR1 (0.77) GPBAR1TACR1CYP3A4TACR3
SCHEMBL30981003 1.00 GPBAR1 (0.77) GPBAR1TACR1CYP3A4TACR3
SCHEMBL1872544 0.98 GPBAR1 (0.74) GPBAR1TACR1CYP3A4TACR3
SCHEMBL1872995 0.93 GPBAR1 (0.70) GPBAR1TACR1CYP3A4TACR3
SCHEMBL337043 0.92 GPBAR1 (0.66) GPBAR1TACR1CYP3A4TACR3
SCHEMBL1871526 0.92 GPBAR1 (0.64) GPBAR1TACR1CYP3A4TACR3
SCHEMBL27643180 0.91 GPBAR1 (0.65) GPBAR1TACR1CYP3A4TACR3
SCHEMBL1868894 0.91 GPBAR1 (0.63) GPBAR1TACR1CYP3A4TACR3
SCHEMBL338381 0.91 GPBAR1 (0.63) GPBAR1TACR1CYP3A4TACR3
SCHEMBL1872408 0.91 GPBAR1 (0.63) GPBAR1TACR1CYP3A4TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473260-B2 Chemical process for making 6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-amine a key intermediate of NT-814 KaNDy Therapeutics Limited (GB) 2025-11-18 US disclosed
US-12473260-B2 Chemical process for making 6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-amine a key intermediate of NT-814 KaNDy Therapeutics Limited (GB) 2025-11-18 US disclosed
US-20230002322-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 KaNDy Therapeutics Limited (GB) 2023-01-05 US disclosed
US-20230002322-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 KaNDy Therapeutics Limited (GB) 2023-01-05 US disclosed
US-20230002322-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 KaNDy Therapeutics Limited (GB) 2023-01-05 US disclosed
WO-2021094247-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 KaNDy Therapeutics Limited (GB) 2021-05-20 WO disclosed
WO-2021094247-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 KaNDy Therapeutics Limited (GB) 2021-05-20 WO disclosed
WO-2021094247-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 KaNDy Therapeutics Limited (GB) 2021-05-20 WO disclosed
US-10100030-B2 Carboxymethyl piperidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-10-16 US disclosed
EP-3141541-B1 CYCLOHEXYL-PYRIDINE DERIVATIVE KISSEI PHARMACEUTICAL (JP) 2018-09-26 EP disclosed
EP-1309559-B1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-06-07 EP disclosed
EP-1643998-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20060030600-A1 Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013050-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
US-20050090533-A1 Dual NK1/NK3 receptor antagonists F. HOFMANN-LA ROCHE AG (CH) 2005-04-28 US disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-6770637-B2 N-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-6-(4-HYDROXYACETYL-PIPERAZIN-1 -YL)-N-METHYL-4-O-TOLYL-NICOTINAMIDE, FOR EXAMPLE HOFFMANN-LA ROCHE INC. 2004-08-03 US disclosed
EP-1309559-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-14 EP disclosed
US-20020040040-A1 Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors F. HOFFMAN-LA ROCHE AG (CH) 2002-04-04 US disclosed
WO-2002016324-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 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 (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-20050090533-A1 Dual NK1/NK3 receptor antagonists TACR2, TAC3, TACR1 GPBAR1 313/4885TACR1 3/4885CYP3A4 3029/4885
US-20020040040-A1 Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors NPSR1, NTSR1, NTSR2 GPBAR1 430/4885TACR1 4/4885CYP3A4 1861/4885
US-20230002322-A1 NEW CHEMICAL PROCESS FOR MAKING 6-CHLORO-4-(4-FLUORO-2-METHYLPHENYL)PYRIDIN-3-AMINE A KEY INTERMEDIATE OF NT-814 NT5E, NT5M, NTRK2 GPBAR1 3570/4885TACR1 174/4885CYP3A4 112/4885
US-20060030600-A1 Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia TACR2, TACR1, TAC3 GPBAR1 211/4885TACR1 2/4885CYP3A4 2275/4885
US-10100030-B2 Carboxymethyl piperidine derivative TACR1, CYP3A5, CNR1 GPBAR1 281/4885TACR1 1/4885CYP3A4 5/4885
US-12473260-B2 Chemical process for making 6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-amine a key intermediate of NT-814 NT5E, NT5M, NTRK2 GPBAR1 3309/4885TACR1 168/4885CYP3A4 118/4885

“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.