SCHEMBL453396

SCHEMBL453396

NCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
KIF11 P52732 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
KCNN4 O15554 1/20 0.43
CHRM2 P08172 5/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM4 P08173 4/20 0.42
CHRM5 P08912 4/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSP90AA1 P07900 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
Hydrochloric Acid SCHEMBL10684188 0.97 SMN1; SMN2 (0.50) TAAR1KIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL28346415 0.93 TAAR1 (0.46) TAAR1KIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL26930170 0.87 KIF11 (0.44) TAAR1KIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL9181282 0.82 KIF11 (0.44) TAAR1KIF11CYP1A2CYP2D6CYP3A4
SCHEMBL11181214 0.80 KIF11 (0.56) KIF11SMN1; SMN2CYP2D6CHRM2CHRM1
SCHEMBL10505123 0.79 CYP1A2 (0.56) TAAR1KIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL135745 0.79 TAAR1 (0.52) TAAR1KIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2066034 0.78 MEN1 (0.55) TAAR1KIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2199869 0.78 KIF11 (0.58) TAAR1KIF11CYP2C9CYP2C19CYP2D6
SCHEMBL560935 0.78 SMN1; SMN2 (0.61) KIF11SMN1; SMN2CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1087348-C Pacemate separation of primary and secondary heteroatom-substituted amine by enzyme-catalysed acylation BASF AG (DE) 2002-07-10 CN claimed
JP-3097780-A None JP disclosed
US-20250381762-A1 VERMICULITE LAMINATED FILM FOR VACUUM INSULATION PANEL, VACUUM INSULATION PANEL HAVING THE SAME AND REFRIGERATOR SAMSUNG ELECTRONICS CO LTD (KR) 2025-12-18 US disclosed
EP-4036082-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2022-08-03 EP disclosed
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
CN-105859685-A Method for preparing dexrabeprazole sodium 山东裕欣药业有限公司 2016-08-17 CN disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
EP-1373167-B1 SOLID PHASE SYNTHESIS SUPPORTS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2015-12-09 EP disclosed
EP-1753711-B1 METHOD FOR PRODUCING QUATERNARY AMMONIUM COMPOUNDS BASF SE (DE) 2015-07-08 EP disclosed
US-8871317-B2 Curable adhesive system, method of assembly of distinct components therewith TEKNOR APEX COMPANY (US) 2014-10-28 US disclosed
EP-0233686-A3 BIS PHENYL ETHANOL AMINES AND BIS PHENYOXYPROPANOLAMINES HAVING A BETA-AGONIST ACTIVITY BEECHAM GROUP PLC (GB) 1989-05-03 EP disclosed
EP-0139358-B1 N6-SUBSTITUTED DIARYLALKYL ADENOSINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WARNER-LAMBERT COMPANY (US) 1988-11-09 EP disclosed
EP-0251339-A2 N6- substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1988-01-07 EP disclosed
EP-0233686-A2 Bis phenyl ethanol amines and bis phenyoxypropanolamines having a beta-agonist activity BEECHAM GROUP PLC (GB) 1987-08-26 EP disclosed
EP-0226475-A1 Diphenoxyethyl amine derivatives, process for their preparation and pharmaceutical compositions containing them Albert ROLLAND S.A. Société dite (FR) 1987-06-24 EP disclosed
US-4657897-A N6 -substituted adenosines for treating pain WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
US-4657898-A CARDIOVACULAR AND PSYCHOLOGICAL DISORDERS, ANALGESICS, OR SEDATIVES WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
EP-0139358-A2 N6-substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1985-05-02 EP disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 US disclosed
US-3983289-A EPOXIDIZED ALKADIENE ALCOHOL ESTER OF POLYCARBOXYLIC ACID, B-STAGE RESIN MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-09-28 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 (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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 TAAR1 11/4885KIF11 1916/4885SMN1; SMN2 1029/4885

“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.