SCHEMBL2478087

SCHEMBL2478087

NNC(=O)[C@H]1CC[C@H](Oc2cnccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
CYP2C9 P11712 1/20 0.41
NAAA Q02083 8/20 0.41
MAPT P10636 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ABL1 P00519 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2478088 1.00 EPHX2 (0.44) EPHX2CYP2C9NAAAMAPTGRIN1
SCHEMBL21842101 0.82 EPHX2 (0.47) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL21525523 0.82 EPHX2 (0.47) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL17869601 0.82 EPHX2 (0.47) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL17869600 0.82 EPHX2 (0.47) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL21547716 0.82 KDM4E (0.56) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL17869155 0.82 KDM4E (0.56) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL17869153 0.82 KDM4E (0.56) EPHX2CYP2C9NAAAGRIN1GRIN2B
SCHEMBL25225702 0.82 GPR119 (0.41) SMN1; SMN2ABL1
SCHEMBL30420794 0.82 GPR119 (0.41) SMN1; SMN2ABL1

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 18 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
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 EPHX2 4328/4885CYP2C9 1788/4885NAAA 3646/4885
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS AVPR1A, AVPR1B, ADRA2A EPHX2 2119/4885CYP2C9 511/4885NAAA 2829/4885
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 EPHX2 3294/4885CYP2C9 288/4885NAAA 3269/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 EPHX2 3294/4885CYP2C9 288/4885NAAA 3269/4885

“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.