SCHEMBL2565875

SCHEMBL2565875

NCCOCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.58
CYP2A6 P11509 1/20 0.55
HRH1 P35367 2/20 0.51
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
HSD11B1 P28845 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL17713225 0.96 CHRNA7 (0.55) CHRNA7CYP2A6HRH1CHRNB2CHRNA4
SCHEMBL7552891 0.89 CYP2A6 (0.61) CHRNA7CYP2A6HRH1CHRNB2CHRNA4
SCHEMBL493020 0.84 CYP1A2 (0.56) CHRNA7CYP2A6HRH1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27794086 0.82 CYP1A2 (0.54) CHRNA7CYP2A6CHRNB2CHRNA4CHRM2
SCHEMBL7548411 0.82 CHRNA7 (0.46) CHRNA7CYP2A6HRH1CHRNB2CHRNA4
SCHEMBL30871656 0.82 CYP2A6 (0.63) CHRNA7CYP2A6CYP1A2CYP2D6CYP3A4
SCHEMBL10263928 0.81 TDP1 (0.53) CHRNA7CHRNB2CHRNA4CHRM2CHRM1
SCHEMBL29469530 0.81 HSD11B1 (0.47) CHRNA7CYP2A6CHRNB2CHRNA4CHRM2
SCHEMBL146442 0.81 HSD11B1 (0.47) CHRNA7CYP2A6CHRNB2CHRNA4CHRM2
SCHEMBL8200733 0.81 CHRNB2 (0.47) CHRNA7CYP2A6CHRNB2CHRNA4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP claimed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US claimed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP claimed
US-20240051950-A1 Novel CYP3A4-Specific Inhibitors and Methods of Using Same UNIV CALIFORNIA (US) 2024-02-15 US disclosed
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 US disclosed
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 US disclosed
EP-3863631-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2021-08-18 EP disclosed
EP-2382274-B1 AQUEOUS COATING COMPOSITION COMPRISING PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (DE) 2015-04-22 EP disclosed
EP-2382274-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF Coatings GmbH (DE) 2011-11-02 EP disclosed
WO-2010077404-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (US) 2010-07-08 WO disclosed
US-20100167071-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT COMPOSITION WITH METAL OXIDE BASF CORPORATION (US) 2010-07-01 US disclosed
US-5965538-A FOR TREATING NERVOUS INFLAMMATION OF RESPIRATORY SYSTEMS, ASTHMA, BRONCHOSPASM FUJIREBIO INC. (JP) 1999-10-12 US disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 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-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 CHRNA7 4166/4885CYP2A6 2936/4885HRH1 991/4885
US-20240051950-A1 Novel CYP3A4-Specific Inhibitors and Methods of Using Same CYP3A4, CYP3A43, CYP3A5 CHRNA7 1896/4885CYP2A6 19/4885HRH1 4207/4885

“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.