SCHEMBL4550437

SCHEMBL4550437

CC(=O)N1CCCC(C)(O)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 7/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.37
VNN1 O95497 1/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL18478136 0.87 SMN1; SMN2 (0.43) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL18478135 0.87 SMN1; SMN2 (0.43) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL14297361 0.87 SMN1; SMN2 (0.43) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL24747145 0.83 HSD17B10 (0.43) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL3947734 0.83 VNN1 (0.37) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL24569205 0.83 HSD17B10 (0.43) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL838932 0.83 CYP3A4 (0.45) CYP3A4HIF1ACYP2D6HSD17B10SMN1; SMN2
SCHEMBL22991226 0.79 RIPK1 (0.38) CYP3A4SMN1; SMN2CYP2C19VNN1ALDH1A1
SCHEMBL16750122 0.79 VNN1 (0.38) CYP2D6SMN1; SMN2TSHRCYP1A2CYP2C19
SCHEMBL30728778 0.79 POLB (0.48) CYP3A4CYP2D6HSD17B10TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
WO-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (7 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB CYP3A4 1057/4885HIF1A 2486/4885CYP2D6 995/4885
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 CYP3A4 2057/4885HIF1A 3911/4885CYP2D6 1659/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A CYP3A4 829/4885HIF1A 3705/4885CYP2D6 785/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A CYP3A4 1759/4885HIF1A 4008/4885CYP2D6 1450/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CYP3A4 2133/4885HIF1A 2064/4885CYP2D6 2614/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP3A4 2206/4885HIF1A 2449/4885CYP2D6 934/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN CYP3A4 1373/4885HIF1A 3348/4885CYP2D6 1741/4885

“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.