SCHEMBL2595538

SCHEMBL2595538

CCOC(=O)C1CCC(c2csc(C)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
ALOX15 P16050 1/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK1 Q15118 1/20 0.39
DGAT1 O75907 1/20 0.39

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
SCHEMBL2595536 1.00 HSD17B10 (0.48) HSD17B10GAAUSP2ALDH1A1TSHR
SCHEMBL2583252 0.81 ADORA1 (0.46) HSD17B10GAAUSP2ALDH1A1RAB9A
SCHEMBL2583255 0.81 ADORA1 (0.46) HSD17B10GAAUSP2ALDH1A1RAB9A
SCHEMBL16104433 0.80 TMIGD3 (0.44) HSD17B10ALDH1A1RAB9AMAPTNPC1
SCHEMBL2589672 0.78 MAPT (0.42) HSD17B10GAAUSP2ALDH1A1TSHR
SCHEMBL2589678 0.78 MAPT (0.42) HSD17B10GAAUSP2ALDH1A1TSHR
SCHEMBL14149184 0.76 GPR88 (0.44) HSD17B10GAAUSP2ALDH1A1TSHR
SCHEMBL2588353 0.76 RAB9A (0.50) HSD17B10ALDH1A1RAB9AMAPTNPC1
SCHEMBL14060102 0.76 GPR88 (0.44) HSD17B10GAAUSP2ALDH1A1TSHR
SCHEMBL2588355 0.76 RAB9A (0.50) HSD17B10ALDH1A1RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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 (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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR HSD17B10 754/4885GAA 4397/4885USP2 1899/4885

“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.