SCHEMBL626826

SCHEMBL626826

NC(=O)CCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 1/20 0.56
PARP10 Q53GL7 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
PTPRA P18433 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 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
SCHEMBL9774 0.91 SMN1; SMN2 (0.68) HRH1SMN1; SMN2CYP1A2CYP2C19PARP10
Hydrochloric Acid SCHEMBL3513717 0.89 SMN1; SMN2 (0.66) HRH1SMN1; SMN2CYP1A2CYP2C19PARP10
SCHEMBL7376400 0.89 SMN1; SMN2 (0.61) HRH1SMN1; SMN2CYP1A2CYP2C19PARP10
SCHEMBL7378329 0.87 HRH1 (0.64) HRH1SMN1; SMN2CYP1A2CYP2C19PARP10
SCHEMBL18248625 0.87 HRH1 (0.64) HRH1SMN1; SMN2CYP1A2CYP2C19PARP10
SCHEMBL6446039 0.82 CYP1A2 (0.57) HRH1SMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL29499090 0.82 SMN1; SMN2 (0.62) HRH1SMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL333243 0.82 SMN1; SMN2 (0.62) HRH1SMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL5493166 0.81 SMN1; SMN2 (0.56) HRH1SMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL403460 0.81 CYP1A2 (0.56) HRH1SMN1; SMN2CYP1A2CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116718773-A Cytokine/chemokine Panel for determining tumor immune loop reconstruction 奥明(杭州)基因科技有限公司 2023-09-08 CN claimed
WO-2023110772-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2023-06-22 WO claimed
CN-110291068-B Process for the preparation of 2-pyridylethylcarboxamide derivatives 拜耳农作物科学股份公司 2023-04-11 CN 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 claimed
US-10807955-B2 Process for the preparation of a 2-pyridylethylcarboxamide derivative BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US claimed
EP-3634975-A2 15.BETA.-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONE COMPOUNDS AND THEIR 17-OXIMES FOR USE IN INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASES Forendo Pharma Ltd (FI) 2020-04-15 EP 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-2018224736-A2 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES FORENDO PHARMA LTD (FI) 2018-12-13 WO claimed
WO-2018114484-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
JP-2008524307-A 2008-07-10 JP claimed
EP-1915362-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP 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
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO claimed
EP-1831169-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2007-09-12 EP claimed
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN claimed
WO-2007018465-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
WO-2006067103-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-06-29 WO claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HRH1 1114/4885SMN1; SMN2 952/4885CYP1A2 39/4885
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 HRH1 4052/4885SMN1; SMN2 1857/4885CYP1A2 27/4885
US-20200039937-A1 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE CPS1, CYP4F2, PLPBP HRH1 1034/4885SMN1; SMN2 805/4885CYP1A2 41/4885

“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.