SCHEMBL5609503

SCHEMBL5609503

Cc1ccc(CCCCN)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2A6 P11509 1/20 0.70
MAOA P21397 1/20 0.60
HRH1 P35367 5/20 0.54
HTR2A P28223 2/20 0.54
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
AGXT P21549 1/20 0.43
IDO1 P14902 1/20 0.42

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
SCHEMBL8501187 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
Hydrochloric Acid SCHEMBL17260636 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8502039 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL4867215 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8502202 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8498343 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8501179 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8500424 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8501852 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8501738 0.98 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614614-A ANTIBIOTICS, CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1997-03-25 US claimed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP claimed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP claimed
CN-114950558-B Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing hydrocarbon molecule benzyl site selective oxidation by using same 陕西师范大学 2023-08-11 CN disclosed
CN-114950558-A Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing benzyl-site selective oxidation of hydrocarbon molecules by using same 陕西师范大学 2022-08-30 CN disclosed
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
EP-2755642-B1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEATTLE GENETICS INC (US) 2018-07-18 EP disclosed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 US disclosed
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
WO-2015173168-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 WO disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed
US-5614614-A ANTIBIOTICS, CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1997-03-25 US disclosed
US-5527780-A BACTERICIDES ROUSSEL UCLAF (FR) 1996-06-18 US disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
EP-0002721-B1 PROCESS FOR PREPARING HYDRAZINES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 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-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A TAAR1 810/4885CYP1A2 2573/4885CYP2A6 2831/4885
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 TAAR1 3359/4885CYP1A2 760/4885CYP2A6 1046/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 TAAR1 3359/4885CYP1A2 760/4885CYP2A6 1046/4885

“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.