SCHEMBL1935210

SCHEMBL1935210

NCC(C=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
HTR2A P28223 3/20 0.52
GABBR2 O75899 2/20 0.44
GABBR1 Q9UBS5 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HRH1 P35367 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2D6 P10635 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL12825377 0.83 HRH1 (0.56) TAAR1HTR2AGABBR2GABBR1CHRNB2
SCHEMBL10627463 0.81 CYP2D6 (0.42) TAAR1HTR2AHRH1CYP2D6DPP4
SCHEMBL23522330 0.78 CYP2A6 (0.38) TAAR1
SCHEMBL15653584 0.78 TAAR1 (0.52) TAAR1SLC6A2SLC6A3CYP2D6
SCHEMBL10584869 0.77 CYP2D6 (0.39) TAAR1HTR2ACYP2D6
SCHEMBL6817626 0.77 CYP2D6 (0.39) TAAR1HTR2AHRH1CYP2D6DPP4
SCHEMBL218804 0.77 LMNA (0.46) TAAR1HTR2AHRH1CYP2D6
SCHEMBL2001329 0.77 CYP2D6 (0.39) TAAR1HTR2AHRH1CYP2D6DPP4
SCHEMBL19233902 0.77 TAAR1 (0.52) TAAR1HTR2AGABBR2GABBR1CHRNB2
SCHEMBL4553372 0.77 TAAR1 (0.52) TAAR1HTR2AGABBR2GABBR1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370782-A Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-02-18 CN claimed
WO-1994014788-A1 NOVEL DERIVATIVES OF A FIVE-MEMBERED RING FUSED BENZENE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO claimed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-4029512-A1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2022-07-20 EP disclosed
EP-3175863-B1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BIOMARIN PHARM INC (US) 2021-12-01 EP disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 US disclosed
US-RE48267-E1 Variants of C-type natriuretic peptide BIOMARIN PHARMACEUTICAL INC. (US) 2020-10-20 US disclosed
EP-3175863-A1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2017-06-07 EP disclosed
US-20170051033-A1 Variants of C-Type Natriuretic Peptide BIOMARIN PHARM INC (US) 2017-02-23 US disclosed
CN-104185624-B Antiviral compound 弗·哈夫曼-拉罗切有限公司 2016-10-12 CN disclosed
EP-2432489-B1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BIOMARIN PHARM INC (US) 2016-10-05 EP disclosed
CN-101255131-A Heterocyclic derivatives as opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-09-03 CN disclosed
CN-101007815-A Pyrrolehexa-heterocyclic compound and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD (CN) 2007-08-01 CN disclosed
CN-1976922-A 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 2007-06-06 CN disclosed
CN-1665501-A heterocyclic derivatives as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2005-09-07 CN disclosed
CN-1518445-A Treatment of sexual dysfunction 沃纳-兰伯特公司 2004-08-04 CN disclosed
CN-1479618-A Treatment of sexual dysfunction with bombesin antagonists ����-�����ع�˾ 2004-03-03 CN disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 TAAR1 1824/4885HTR2A 4343/4885GABBR2 2762/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 TAAR1 1920/4885HTR2A 4391/4885GABBR2 2487/4885

“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.