SCHEMBL13508581

SCHEMBL13508581

CC(C)(C)CN1CCCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PIK3CD O00329 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
KMT2A Q03164 1/20 0.43
CHRM2 P08172 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
APEX1 P27695 2/20 0.39
PMP22 Q01453 2/20 0.39
ALOX12 P18054 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
SCHEMBL20762080 1.00 PER2 (0.49) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL21401133 1.00 PER2 (0.49) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL12032481 0.98 PER2 (0.50) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL12228961 0.92 PIK3CD (0.53) PER2PIK3CDKMT2ACHRM2CHRM5
SCHEMBL342227 0.82 PER2 (0.45) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL20144394 0.81 L3MBTL1 (0.45) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL342303 0.79 PER2 (0.46) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL15119940 0.78 PIK3CD (0.44) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL23484442 0.78 PER2 (0.45) PER2L3MBTL1PIK3CDHRH3KMT2A
SCHEMBL29270763 0.78 PER2 (0.48) PER2L3MBTL1PIK3CDHRH3KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190055236-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2019-02-21 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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 (5 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-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR PER2 3582/4885L3MBTL1 4741/4885PIK3CD 2003/4885
US-20190055236-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 PER2 2815/4885L3MBTL1 1738/4885PIK3CD 2677/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR PER2 3582/4885L3MBTL1 4741/4885PIK3CD 2003/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 PER2 1765/4885L3MBTL1 183/4885PIK3CD 2986/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 PER2 1369/4885L3MBTL1 389/4885PIK3CD 2405/4885

“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.