SCHEMBL104574

SCHEMBL104574

CC(O)c1cc2ccoc2cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.38
CHRNA7 P36544 6/20 0.35
HTR3A P46098 3/20 0.35
DYRK1A Q13627 3/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
KMO O15229 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL4671711 1.00 HTR1B (0.38) HTR1BCHRNA7HTR3ADYRK1AHTR3E
SCHEMBL4670935 1.00 HTR1B (0.38) HTR1BCHRNA7HTR3ADYRK1AHTR3E
SCHEMBL12749946 0.86 HTR1B (0.38) HTR1BCHRNA7HTR3ADYRK1AHTR3E
SCHEMBL6670562 0.83 HTR1B (0.36) HTR1BCHRNA7HTR3ADYRK1AHTR3E
SCHEMBL6666042 0.77 HTR1B (0.38) HTR1BCHRNA7HTR3ADYRK1AHTR3E
SCHEMBL6664622 0.72 DYRK1A (0.36) DYRK1A
SCHEMBL13073512 0.72 CYP2A6 (0.47) HTR1BCHRNA7HTR3ADYRK1AHTR3E
SCHEMBL12749944 0.71 HTR1B (0.38) HTR1BDYRK1AS1PR1S1PR3CDK9
SCHEMBL11073058 0.71 HTR1B (0.42) HTR1BCHRNA7HTR3ADYRK1ACDK9
SCHEMBL6638354 0.71 CYP1A2 (0.50) HTR3AS1PR1S1PR3

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 23 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-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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
EP-1116795-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORP (JP) 2008-03-12 EP disclosed
US-7329518-B2 Enzyme for producing optically active pyridineethanol derivatives KANEKA CORPORATION (JP) 2008-02-12 US disclosed
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP 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
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
EP-0911335-A2 Method for producing furopyridine derivatives and intermediate compounds KURARAY CO., LTD. (JP) 1999-04-28 EP disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 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 (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 HTR1B 2052/4885CHRNA7 732/4885HTR3A 3100/4885
US-20010031871-A1 Method for producing pyridine derivatives CYP2E1, CBR1, CBR3 HTR1B 1591/4885CHRNA7 342/4885HTR3A 1042/4885

“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.