SCHEMBL2476884

SCHEMBL2476884

NNC(=O)[C@H]1CC[C@H](Oc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
PKM P14618 2/20 0.47
HRH1 P35367 1/20 0.46
EPHX2 P34913 3/20 0.43
FAAH O00519 1/20 0.43
ACACB O00763 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACSL1 P33121 2/20 0.41
DGAT1 O75907 1/20 0.41
ACSL3 O95573 1/20 0.40
ACSL6 Q9UKU0 1/20 0.40
SLC6A4 P31645 2/20 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
SCHEMBL2475966 1.00 GAA (0.47) GAAPKMHRH1EPHX2FAAH
SCHEMBL2475964 1.00 GAA (0.47) GAAPKMHRH1EPHX2FAAH
SCHEMBL16112031 0.85 KDM1A (0.51) GAAPKMHRH1EPHX2FAAH
SCHEMBL2471668 0.84 EPHX2 (0.55) EPHX2FAAHACACBDGAT1
SCHEMBL2471666 0.84 EPHX2 (0.55) EPHX2FAAHACACBDGAT1
SCHEMBL2478658 0.84 ABL1 (0.52) FAAHMAPTNPC1RAB9AACSL1
SCHEMBL2478657 0.84 ABL1 (0.52) FAAHMAPTNPC1RAB9AACSL1
SCHEMBL2474377 0.83 SLC6A4 (0.48) EPHX2ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL2474378 0.83 SLC6A4 (0.48) EPHX2ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL2472723 0.83 MTNR1A (0.54) GAAEPHX2MAPTKMT2AALDH1A1

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-4185570-B1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2024-10-09 EP disclosed
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
EP-4185570-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1 A ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2023-05-31 EP disclosed
CN-116194441-A Cyclohexyl-substituted triazoles as vasopressin receptor V1A antagonists 豪夫迈·罗氏有限公司 2023-05-30 CN disclosed
EP-2760871-B1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-8828989-B2 Oxy-cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[E]azulenes as V1A antagonists HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2760871-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
EP-2370441-B1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-09-11 EP disclosed
US-8461152-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
WO-2013045373-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 US disclosed
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES SCHNIDER PATRICK (CH) 2012-09-06 US disclosed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP disclosed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 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 (4 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 GAA 4526/4885PKM 3194/4885HRH1 480/4885
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS AVPR1A, AVPR1B, ADRA2A GAA 1935/4885PKM 2973/4885HRH1 201/4885
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 GAA 4220/4885PKM 3637/4885HRH1 726/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 GAA 4220/4885PKM 3637/4885HRH1 726/4885

“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.