SCHEMBL2586987

SCHEMBL2586987

Cc1cnc(C2CCC(C(=O)O)CC2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPV1 Q8NER1 4/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AOC3 Q16853 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC4 P56524 1/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2586983 1.00 DGAT1 (0.40) DGAT1SOAT1TRPV1ALDH1A1NPC1
SCHEMBL18483387 0.84
SCHEMBL2583702 0.83 KDM4E (0.41) TRPV1ALDH1A1NPC1RAB9AAOC3
SCHEMBL2583705 0.83 KDM4E (0.41) TRPV1ALDH1A1NPC1RAB9AAOC3
SCHEMBL2586384 0.82 TRPV1 (0.40) TRPV1NPC1RAB9AAOC3CA12
SCHEMBL2586380 0.82 TRPV1 (0.40) TRPV1NPC1RAB9AAOC3CA12
SCHEMBL408388 0.81 NPC1 (0.36) DGAT1SOAT1NPC1RAB9AAKR1C3
SCHEMBL441115 0.81 NPC1 (0.36) DGAT1SOAT1NPC1RAB9AAKR1C3
SCHEMBL20969081 0.78 ENPP2 (0.44) TRPV1ALDH1A1AOC3CYP2C9HDAC4
SCHEMBL21679405 0.78 LMNA (0.41) DGAT1SOAT1ALDH1A1RAB9ACYP2C9

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 5 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
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
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 DGAT1 3987/4885SOAT1 2979/4885TRPV1 834/4885

“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.