SCHEMBL8325639

SCHEMBL8325639

CCOc1cccnc1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
GRM5 P41594 3/20 0.50
CHRNB1 P11230 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CACNA2D1 P54289 1/20 0.45
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE5A O76074 1/20 0.44
DCPS Q96C86 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL31461865 1.00 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNA4GRM5CHRNB1
SCHEMBL6655861 0.83 CHRNB2 (0.51) CHRNB2CHRNA4GRM5CHRNB1CHRNB4
SCHEMBL1536664 0.83 NCF1 (0.48) ALDH1A1CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL14224809 0.82 CYP2C19 (0.56) CHRNB2CHRNA4GRM5CHRNB1CHRNB4
SCHEMBL20195660 0.81 ALDH1A1 (0.51) ALDH1A1CHRNB2CHRNA4GRM5CHRNB1
SCHEMBL8126961 0.80 CYP1A2 (0.50) CHRNB2CHRNA4GRM5CHRNB1CHRNB4
SCHEMBL6545410 0.79 ADORA2A (0.50) ALDH1A1CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL16237691 0.79 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL27684835 0.79 PDE5A (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
Formaldehyde SCHEMBL27812370 0.79 GRM5 (0.48) CHRNB2CHRNA4GRM5CHRNB1CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059931-A High-weather-resistance dye and preparation method and application thereof 上海沪正实业有限公司 2026-05-19 CN disclosed
US-9617255-B2 Organic electroluminescent element, and illumination device and display device each comprising the element Konica Minolta, Inc. (JP) 2017-04-11 US disclosed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed
EP-0008610-B1 FURONAPHTHYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DAIICHI SEIYAKU CO., LTD. (JP) 1981-10-14 EP disclosed
US-4293695-A ANTIBACTERIAL AGENTS DAIICHI SEIYAKU CO., LTD. (JP) 1981-10-06 US disclosed
EP-0008610-A1 Furonaphthyridine compounds, process for their preparation and pharmaceutical compositions containing them DAIICHI SEIYAKU CO., LTD. (JP) 1980-03-19 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 (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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ALDH1A1 3784/4885CHRNB2 292/4885CHRNA4 306/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ALDH1A1 3784/4885CHRNB2 292/4885CHRNA4 306/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 534/4885CHRNB2 43/4885CHRNA4 48/4885

“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.