SCHEMBL55605

SCHEMBL55605

CC(=O)c1cc2ccoc2cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.48
HTR3A P46098 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
DYRK1A Q13627 1/20 0.46
KMO O15229 1/20 0.42
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
HTR1B P28222 1/20 0.38
NAMPT P43490 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL29890580 0.84 KMO (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842797 0.84 KMO (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL29892144 0.83 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6263910 0.83 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL27867975 0.82 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3878006 0.79 GABRA1 (0.55) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7502769 0.78 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7504438 0.77 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849237 0.75 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7507673 0.74 MIF (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116795-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORP (JP) 2008-03-12 EP claimed
US-7329518-B2 Enzyme for producing optically active pyridineethanol derivatives KANEKA CORPORATION (JP) 2008-02-12 US claimed
US-20040043460-A1 Process for producing optically active pyridineethanol derivatives KANEKA CORPORATION (JP) 2004-03-04 US claimed
EP-1116795-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORPORATION (JP) 2001-07-18 EP claimed
EP-2096165-B1 NOVEL ALCOHOL DEHYDROGENASE, GENE FOR THE ALCOHOL DEHYDROGENASE, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOL BY USING THEM KANEKA CORP (JP) 2016-08-24 EP disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-8129163-B2 Gene suitable for alcohol dehydrogenase, vector and transformant KANEKA CORPORATION (JP) 2012-03-06 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100035317-A1 NOVEL ALCOHOL DEHYDROGENASE, GENE FOR THE ALCOHOL DEHYDROGENASE, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOL BY USING THEM KANEKA CORPORATION (JP) 2010-02-11 US disclosed
EP-1116795-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORP (JP) 2008-03-12 EP disclosed
US-20040043460-A1 Process for producing optically active pyridineethanol derivatives KANEKA CORPORATION (JP) 2004-03-04 US disclosed
EP-0911335-B1 Method for producing furopyridine derivatives and intermediate compounds KURARAY CO (JP) 2002-04-17 EP disclosed
US-6342606-B2 REACTING PYRIDINE ESTER DERIVATIVE WITH A REDUCING AGENT, AN ALKYLATING AGENT, AN ALKENYLATING AGENT, AN ARYLATING AGENT OR AN ARALKYLATING AGENT TO OBTAIN A PYRIDINE CARBONYL DERIVATIVE, REDUCING KURARAY CO., LTD. (JP) 2002-01-29 US disclosed
US-20010031871-A1 Method for producing pyridine derivatives KURARAY CO., LTD. (JP) 2001-10-18 US disclosed
US-6265580-B1 REACTING AMINE DERIVATIVE WITH CARBONYLATING AGENT AND NITRILE DERIVATIVE KURARAY CO., LTD. (JP) 2001-07-24 US disclosed
EP-1116795-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORPORATION (JP) 2001-07-18 EP disclosed
US-6111111-A Intermediates for producing pyridine derivatives KURARAY CO., LTD. (JP) 2000-08-29 US disclosed
EP-0911335-A2 Method for producing furopyridine derivatives and intermediate compounds KURARAY CO., LTD. (JP) 1999-04-28 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 (2 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CHRNA7 732/4885HTR3A 3100/4885HTR3E 3110/4885
US-20010031871-A1 Method for producing pyridine derivatives CYP2E1, CBR1, CBR3 CHRNA7 342/4885HTR3A 1042/4885HTR3E 1914/4885

“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.