SCHEMBL4945583

SCHEMBL4945583

NCC(O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.62
SLC6A4 P31645 9/20 0.62
SLC6A3 Q01959 9/20 0.62
CYP2D6 P10635 7/20 0.62
CYP3A4 P08684 7/20 0.62
KCNH2 Q12809 4/20 0.62
AOC3 Q16853 1/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
HIF1A Q16665 2/20 0.57
CYP1A2 P05177 1/20 0.57
UGT2B7 P16662 1/20 0.57
TAAR1 Q96RJ0 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
APEX1 P27695 2/20 0.55
RECQL P46063 2/20 0.55
BLM P54132 2/20 0.55
TDP1 Q9NUW8 2/20 0.55

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
SCHEMBL30353291 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL9665042 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL4945588 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL27996293 0.85 AOC3 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL3266869 0.83 UGT2B7 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL2894556 0.82 CYP2D6 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL6543395 0.82 CYP2D6 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL6490271 0.82 CYP2D6 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL10120474 0.80 UGT2B7 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL483715 0.80 UGT2B7 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110982800-B Sulfonyl transferase, application and mediated aziridine ring biosynthesis method thereof 天津科技大学 2023-04-28 CN disclosed
CN-109734643-B Method for synthesizing pyrroline compound by catalyzing amino alcohol and enol with iron 陕西师范大学 2021-05-14 CN disclosed
CN-110982800-A Sulfonyl transferase, application and aziridine ring biological synthesis method mediated by sulfonyl transferase 天津科技大学 2020-04-10 CN disclosed
CN-109734643-A The method that iron catalytic amino alcohol synthesizes pyrrolines with enol 陕西师范大学 2019-05-10 CN disclosed
WO-2012168733-A1 SUBSTITUTED 8 - AMINO - IMIDAZO [1, 2-A] PYRAZINES AS ANTIBACTERIAL AGENTS UCL BUSINESS PLC (GB) 2012-12-13 WO disclosed
WO-2012168733-A1 SUBSTITUTED 8 - AMINO - IMIDAZO [1, 2-A] PYRAZINES AS ANTIBACTERIAL AGENTS UCL BUSINESS PLC (GB) 2012-12-13 WO disclosed
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
CN-1296354-C Pharmaceutically active pyrrolidine derivatives APPLIED RES SYSTEMS AKS HOLDIN (AN) 2007-01-24 CN disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-0590793-A1 Oxazolidine derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-04-06 EP disclosed
WO-1993024470-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-09 WO disclosed
EP-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 EP disclosed
CN-1073428-A Aromatic amino alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic use SANKYO CO (JP) 1993-06-23 CN disclosed
EP-0543662-A2 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-05-26 EP disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 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 (1 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 SLC6A2 3842/4885SLC6A4 3520/4885SLC6A3 3366/4885

“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.