SCHEMBL12486284

SCHEMBL12486284

CC(C)(C)OC(=O)N1CCCC[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PREP P48147 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE8B O95263 1/20 0.40

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
SCHEMBL3434909 1.00 HSD17B10 (0.48) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL1427524 1.00 HSD17B10 (0.48) HSD17B10HPGDEPHX1CHRM2CHRM1
Methane SCHEMBL6697096 0.98 HSD17B10 (0.47) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL29126181 0.98 HPGD (0.50) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL31459726 0.98 HPGD (0.50) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL1115598 0.95 HSD17B10 (0.52) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL559852 0.95 HSD17B10 (0.52) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL1010839 0.95 HSD17B10 (0.52) HSD17B10HPGDEPHX1CHRM2CHRM1
SCHEMBL1550543 0.95 HSD17B10 (0.52) HSD17B10HPGDEPHX1CHRM2CHRM1
Methane SCHEMBL667082 0.93 HSD17B10 (0.51) HSD17B10HPGDEPHX1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103582482-B Pharmaceutically active disubstituted triazine derivatives 利德探索中心有限公司 2016-10-12 CN disclosed
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US disclosed
CN-103582482-A Pharmaceutically active disubstituted triazine derivatives LEAD DISCOVERY CENTER GMBH 2014-02-12 CN disclosed
EP-2680852-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2014-01-08 EP disclosed
WO-2012117048-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 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 (1 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-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 HSD17B10 2679/4885HPGD 1473/4885EPHX1 3515/4885

“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.