SCHEMBL114270

SCHEMBL114270

CN(C=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 5/20 0.41
CHRM2 P08172 3/20 0.41
ADRA2A P08913 3/20 0.41
DRD1 P21728 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 3/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2B P18089 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
ADRA2C P18825 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL14290472 0.79 CYP2D6 (0.48) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL2861141 0.78 CYP2D6 (0.42) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL2702055 0.78 ALDH1A1 (0.43) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
Bromide SCHEMBL9508759 0.78 CYP2D6 (0.47) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL25312219 0.78 CYP2D6 (0.47) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
Formic Acid SCHEMBL27994873 0.78 CYP2D6 (0.47) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL1855483 0.76 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL22048451 0.76 ALDH1A1 (0.46) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL28807709 0.76 POLB (0.43) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL12879844 0.76 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057737-A Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-02-18 CN claimed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US claimed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US claimed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP claimed
JP-2007508277-A 2007-04-05 JP claimed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 EP claimed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 WO claimed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
CN-111205198-B Method for preparing formamide compound by catalyzing carbon dioxide hydrogenation through porous material 复旦大学 2023-08-01 CN disclosed
CN-114057737-A Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-02-18 CN disclosed
CN-114057737-A Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-02-18 CN disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-5256666-A Pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0543238-A1 3-Isoxazolylphenyl-compounds, their preparation and application BASF Aktiengesellschaft (DE) 1993-05-26 EP disclosed
US-5151441-A Insecticides or miticides BASF AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
EP-0457204-A1 3-Isoxazolylbenzylesters, their preparation and utilization BASF Aktiengesellschaft (DE) 1991-11-21 EP disclosed
EP-0414059-A1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0310676-A1 LIQUID-CRYSTAL DERIVATIVES OF 2,5-DISUBSTITUTED PYRIDINE AS COMPONENTS OF LIQUID-CRYSTAL MATERIAL, AND A LIQUID-CRYSTAL MATERIAL PAVLJUCHENKO, Assya Iosifovna (RU) 1989-04-12 EP 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 (1 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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK CYP2D6 378/4885CYP2C19 590/4885ALDH1A1 200/4885

“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.