SCHEMBL478903

SCHEMBL478903

CC1CCCN(C(=O)C(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.49
HPGD P15428 5/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
LIPE Q05469 2/20 0.48
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL13198906 1.00 ALDH1A1 (0.56) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL13198912 1.00 ALDH1A1 (0.56) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL5020025 0.88 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL13615983 0.88 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL12449153 0.88 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL11844731 0.85 ALDH1A1 (0.62) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19490394 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19982003 0.82 DPP4 (0.50) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL14199715 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2735526 0.82 DPP4 (0.50) ALDH1A1LMNAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US claimed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP claimed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP claimed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO claimed
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 EP disclosed
US-10253035-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-04-09 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-05 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
US-7855289-B2 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (9 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 ALDH1A1 778/4885LMNA 2088/4885POLB 2703/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 ALDH1A1 2830/4885LMNA 605/4885POLB 4216/4885
US-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 ALDH1A1 819/4885LMNA 2571/4885POLB 1092/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 ALDH1A1 1232/4885LMNA 2930/4885POLB 1098/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 ALDH1A1 1232/4885LMNA 2930/4885POLB 1098/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 ALDH1A1 844/4885LMNA 3132/4885POLB 1364/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 ALDH1A1 4354/4885LMNA 1805/4885POLB 539/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 ALDH1A1 1903/4885LMNA 2572/4885POLB 2118/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 ALDH1A1 1331/4885LMNA 3473/4885POLB 2253/4885

“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.