SCHEMBL14569832

SCHEMBL14569832

CC(=O)[C@@H]1CCN1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14546267 1.00 PARP1 (0.32) PARP1MEN1ALDH1A1KMT2ACYP2D6
SCHEMBL16000556 1.00 PARP1 (0.32) PARP1MEN1ALDH1A1KMT2ACYP2D6
SCHEMBL13233696 0.87 ACE (0.38) PARP1L3MBTL1
SCHEMBL16000536 0.87 ACE (0.38) PARP1L3MBTL1
SCHEMBL57300 0.87 ACE (0.38) PARP1L3MBTL1
SCHEMBL26723935 0.85 PARP1 (0.36) PARP1ALDH1A1
SCHEMBL16388299 0.85 PARP1 (0.36) PARP1ALDH1A1
SCHEMBL18205572 0.84 MEN1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL5701892 0.82 ACE (0.40)
SCHEMBL5701910 0.82 ACE (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-10005768-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-06-26 US disclosed
US-10000475-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-06-19 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-9884865-B2 Azaspiro[4.5] decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-02-06 US disclosed
US-9834543-B2 Indazoles and use thereof PURDUE PHARMA L.P. (US) 2017-12-05 US disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-9359330-B2 Substituted piperidines as sodium channel blockers PURDUE PHARMA L.P. (US) 2016-06-07 US disclosed
US-20160031873-A1 Carboxamide Derivatives and Use Thereof PURDUE PHARMA L.P. 2016-02-04 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
US-20150353512-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-10 US disclosed
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-10-08 US disclosed
US-9120786-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-06-25 US disclosed
US-20150057300-A1 SUBSTITUTED PIPERIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-02-26 US disclosed
US-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-04 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (15 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 PARP1 1957/4885MEN1 3283/4885ALDH1A1 120/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 PARP1 3814/4885MEN1 1788/4885ALDH1A1 1024/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS PARP1 251/4885MEN1 1514/4885ALDH1A1 4236/4885
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF CACNA1A, CACNA1D, CACNA1S PARP1 3525/4885MEN1 1265/4885ALDH1A1 631/4885
US-10005768-B2 Carboxamide derivatives and use thereof TRPV1, CACNA1A, SCN10A PARP1 4392/4885MEN1 3470/4885ALDH1A1 1621/4885
US-20160031873-A1 Carboxamide Derivatives and Use Thereof TRPV1, CACNA1A, SCN10A PARP1 4392/4885MEN1 3687/4885ALDH1A1 1283/4885
US-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B PARP1 4474/4885MEN1 3264/4885ALDH1A1 790/4885
US-20150353512-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B PARP1 4474/4885MEN1 3264/4885ALDH1A1 790/4885
US-10000475-B2 Triazine carboxamides as sodium channel blockers TRPV1, SCN2A, SCN2B PARP1 4474/4885MEN1 3264/4885ALDH1A1 790/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS PARP1 251/4885MEN1 1514/4885ALDH1A1 4236/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 PARP1 4180/4885MEN1 3827/4885ALDH1A1 1063/4885
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 PARP1 3814/4885MEN1 1788/4885ALDH1A1 1024/4885
US-20180134690-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 PARP1 4393/4885MEN1 2800/4885ALDH1A1 710/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 PARP1 4159/4885MEN1 3846/4885ALDH1A1 989/4885
US-20150057300-A1 SUBSTITUTED PIPERIDINES AS SODIUM CHANNEL BLOCKERS CACNA1A, SCN1B, CACNA1E PARP1 3522/4885MEN1 2724/4885ALDH1A1 724/4885

“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.