SCHEMBL4662816

SCHEMBL4662816

C=C(c1ccccc1)C(C)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8285027 0.84 LMNA (0.45) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL693987 0.80 SMN1; SMN2 (0.50) LMNAMAPTSMN1; SMN2XBP1ATM
Hydrogen Sulfide SCHEMBL29028321 0.78 SMN1; SMN2 (0.48) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL3731992 0.78 LMNA (0.48) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL4021295 0.76 LMNA (0.47) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL7854232 0.76 SMN1; SMN2 (0.52) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL830415 0.76 SMN1; SMN2 (0.47) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL6599420 0.75 LMNA (0.44) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL11798431 0.74 MAPT (0.45) LMNAMAPTSMN1; SMN2XBP1ATM
SCHEMBL9824760 0.74 DPP4 (0.44) LMNAADRA2AADRA2CHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1878800-A pH sensitive polymer and process for preparation thereof COUNCIL SCIENT IND RES (IN) 2006-12-13 CN claimed
EP-0836445-A1 METHOD FOR REGULATING METABOLISM WITH DOPAMINE BETA HYDROXYLASE INHIBITORS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-04-22 EP claimed
US-5626860-A TREATMENT OF DIABETES AND REDUCTION OF FAT STORES THE BOARD OF SUPERVISORS OF LOUISANA STATE AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1997-05-06 US claimed
WO-1996039996-A1 METHOD FOR REGULATING METABOLISM WITH DOPAMINE BETA HYDROXYLASE INHIBITORS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1996-12-19 WO claimed
CN-109415521-A Functional film, polarizing plate and display device 富士胶片株式会社 2019-03-01 CN disclosed
CN-109415465-A Copolymer and composition 富士胶片株式会社 2019-03-01 CN disclosed
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
EP-2283833-A2 Amines and amides for the treatment of diseases LA JOLLA PHARMACEUTICAL CO. (US) 2011-02-16 EP disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 US disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 US disclosed
CN-1878800-A pH sensitive polymer and process for preparation thereof COUNCIL SCIENT IND RES (IN) 2006-12-13 CN disclosed
US-20060165683-A1 Methods and compositions for control of bone formation via modulation of sympathetic tone BAYLOR COLLEGE OF MEDICINE 2006-07-27 US disclosed
EP-0836445-A1 METHOD FOR REGULATING METABOLISM WITH DOPAMINE BETA HYDROXYLASE INHIBITORS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-04-22 EP disclosed
US-5741503-A ADMINISTERING AT PREDETERMINED TIMES; ANTILIPEMIC AGENTS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-04-21 US disclosed
WO-1996039996-A1 METHOD FOR REGULATING METABOLISM WITH DOPAMINE BETA HYDROXYLASE INHIBITORS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1996-12-19 WO disclosed
US-5401856-A Carbonylation of allylmethylamine ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1995-03-28 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 (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-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC1 LMNA 4198/4885MAPT 1330/4885SMN1; SMN2 1636/4885
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE LMNA 940/4885MAPT 817/4885SMN1; SMN2 665/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 LMNA 4198/4885MAPT 1330/4885SMN1; SMN2 1636/4885

“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.