SCHEMBL403460

SCHEMBL403460

[NH]C(=O)CCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2C19 P33261 1/20 0.56
HRH1 P35367 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
PTPRA P18433 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4780002 0.87 SMN1; SMN2 (0.59) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL29499090 0.82 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL333243 0.82 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL6446039 0.82 CYP1A2 (0.57) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL28672925 0.81 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL4174816 0.81 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Lithium Ion SCHEMBL28463950 0.81 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL5493166 0.81 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL626826 0.81 HRH1 (0.57) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL2722250 0.81 ALDH1A1 (0.57) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558945-B1 PROCESS FOR THE PREPARATION OF A N-[2-(2-PYRIDINYL)ETHYL]CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2021-05-05 EP claimed
US-10807955-B2 Process for the preparation of a 2-pyridylethylcarboxamide derivative BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US claimed
US-20200039937-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-06 US claimed
EP-3558945-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2018114484-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
JP-4794570-B2 2011-10-19 JP claimed
EP-1833793-B1 PROCESS FOR THE PREPARATION OF A 2-ETHYLAMINOPYRIDINE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-12-08 EP claimed
US-20100292485-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2010-11-18 US claimed
US-7790901-B2 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide BAYER CROPSCIENCE S.A. (FR) 2010-09-07 US claimed
JP-2008524307-A 2008-07-10 JP claimed
US-20080114176-A1 Process For The Preparation Of A 2-Ethylaminopyridine Derivative BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-05-15 US claimed
US-20080086008-A1 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-04-10 US claimed
EP-1833793-A1 PROCESS FOR THE PREPARATION OF A 2-ETHYLAMINOPYRIDINE DERIVATIVE Bayer CropScience S.A. (FR) 2007-09-19 EP claimed
EP-1831169-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2007-09-12 EP claimed
WO-2006067103-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-06-29 WO claimed
WO-2006067106-A1 PROCESS FOR THE PREPARATION OF A 2-ETHYLAMINOPYRIDINE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-06-29 WO claimed
EP-1674455-A1 Process for the preparation of a 2-ethylaminopyridine derivative Bayer CropScience S.A. (FR) 2006-06-28 EP claimed
EP-3558945-B1 PROCESS FOR THE PREPARATION OF A N-[2-(2-PYRIDINYL)ETHYL]CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2021-05-05 EP disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 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 (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-10807955-B2 Process for the preparation of a 2-pyridylethylcarboxamide derivative CPS1, PLPBP, CYP4F2 CYP1A2 39/4885SMN1; SMN2 952/4885CYP2C19 28/4885
US-20080086008-A1 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide DDT, PFAS, AADAC CYP1A2 27/4885SMN1; SMN2 1857/4885CYP2C19 254/4885
US-20080114176-A1 Process For The Preparation Of A 2-Ethylaminopyridine Derivative SDHA, UROD, SDHB CYP1A2 16/4885SMN1; SMN2 1165/4885CYP2C19 4/4885
US-20200039937-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE CPS1, CYP4F2, PLPBP CYP1A2 41/4885SMN1; SMN2 805/4885CYP2C19 29/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP1A2 2679/4885SMN1; SMN2 4203/4885CYP2C19 2462/4885
US-20100292485-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE GBA2, CPS1, CYP4F2 CYP1A2 38/4885SMN1; SMN2 1099/4885CYP2C19 44/4885

“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.