SCHEMBL221544

SCHEMBL221544

COc1cc(C(=O)O)ccc1CN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MCHR1 Q99705 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50

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
Hydrochloric Acid SCHEMBL6174627 0.99 L3MBTL1 (0.62) KMT2AMEN1L3MBTL1MCHR1CA12
SCHEMBL2624464 0.89 L3MBTL1 (0.76) KMT2AMEN1L3MBTL1MCHR1ALDH1A1
SCHEMBL221039 0.88 KCNJ1 (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL6599029 0.87 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1MCHR1ALDH1A1
SCHEMBL2624494 0.87 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1MCHR1ALDH1A1
SCHEMBL6947771 0.87 L3MBTL1 (0.59) KMT2AMEN1L3MBTL1MCHR1ALDH1A1
SCHEMBL7447061 0.87 KMT2A (0.62) KMT2AMEN1L3MBTL1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL4902833 0.87 KCNJ1 (0.53) KMT2AMEN1L3MBTL1CA12CA1
SCHEMBL4271324 0.86 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL7348186 0.86 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1MCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8093401-B2 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; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
EP-2388263-A1 Imidazo[2,1-b]thiazole derivatives as sirtuin modulators Sirtris Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO 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 (2 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-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 KMT2A 1087/4885MEN1 3137/4885L3MBTL1 2559/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 KMT2A 1087/4885MEN1 3137/4885L3MBTL1 2559/4885

“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.