SCHEMBL2586462

SCHEMBL2586462

COC(=O)[C@H]1CC[C@H](c2cc(C)on2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.40
STAT1 P42224 1/20 0.39
AVPR1A P37288 5/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APP P05067 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2586465 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1TSHRRAB9AHTT
SCHEMBL2580226 0.83 STAT1 (0.40) SMN1; SMN2NPC1TSHRRAB9AHTT
SCHEMBL19190021 0.82 NPC1 (0.43) SMN1; SMN2NPC1TSHRRAB9AAVPR1A
SCHEMBL2588405 0.81 SMN1; SMN2 (0.43) SMN1; SMN2NPC1TSHRRAB9AAVPR1A
SCHEMBL2588401 0.81 SMN1; SMN2 (0.43) SMN1; SMN2NPC1TSHRRAB9AAVPR1A
SCHEMBL3155325 0.80
SCHEMBL12174901 0.75 SMN1; SMN2 (0.38) SMN1; SMN2NPC1TSHRRAB9AHTT
SCHEMBL22796297 0.73 AVPR1A (0.46) SMN1; SMN2NPC1TSHRRAB9AHTT
SCHEMBL22796295 0.73 AVPR1A (0.46) SMN1; SMN2NPC1TSHRRAB9AHTT
SCHEMBL22629441 0.73 AVPR1A (0.43) NPC1TSHRRAB9AAVPR1AKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763997-B1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
EP-2763997-B1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
EP-2763997-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US 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
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
WO-2013050334-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
WO-2013050334-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO 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
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 (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-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists AVPR1A, AVPR1B, OXTR SMN1; SMN2 2648/4885NPC1 2504/4885TSHR 152/4885
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR SMN1; SMN2 3953/4885NPC1 2146/4885TSHR 76/4885

“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.