SCHEMBL51880

SCHEMBL51880

COC(=O)C1CC(C(=O)OC)CN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.57
S1PR1 P21453 3/20 0.57
LTA4H P09960 1/20 0.50
BCHE P06276 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FUCA1 P04066 2/20 0.49
SCN4A P35499 2/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL62842 1.00 S1PR5 (0.57) S1PR5S1PR1LTA4HBCHEALDH1A1
SCHEMBL4023553 0.94 S1PR5 (0.52) S1PR5S1PR1LTA4HBCHEALDH1A1
SCHEMBL6616917 0.94 S1PR5 (0.60) S1PR5S1PR1LTA4HALDH1A1MAPT
SCHEMBL1439237 0.92 S1PR5 (0.52) S1PR5S1PR1LTA4HBCHEALDH1A1
SCHEMBL29067901 0.92 S1PR5 (0.52) S1PR5S1PR1LTA4HBCHEALDH1A1
SCHEMBL1439927 0.90 S1PR5 (0.51) S1PR5S1PR1LTA4HBCHEALDH1A1
SCHEMBL29067832 0.90 S1PR5 (0.51) S1PR5S1PR1LTA4HBCHEALDH1A1
SCHEMBL8321624 0.88 KDM4E (0.54) S1PR5S1PR1LTA4HALDH1A1MAPT
SCHEMBL6749184 0.87 S1PR5 (0.50) S1PR5S1PR1LTA4HALDH1A1MAPT
SCHEMBL29080062 0.87 NR1H2 (0.49) S1PR5S1PR1LTA4HBCHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO disclosed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG S1PR5 4454/4885S1PR1 4182/4885LTA4H 2613/4885
US-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 S1PR5 3351/4885S1PR1 2979/4885LTA4H 886/4885

“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.