SCHEMBL29500960

SCHEMBL29500960

OC1Cc2ccccc2-n2cnnc2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
AADAT Q8N5Z0 3/20 0.35
CYP11B1 P15538 1/20 0.34
AVPR1A P37288 3/20 0.33
GOT1 P17174 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE4D Q08499 1/20 0.33
NOTUM Q6P988 1/20 0.33
KYAT1 Q16773 1/20 0.33
KYAT3 Q6YP21 1/20 0.33
RIPK1 Q13546 3/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21061622 0.81 AADAT (0.40) CYP11B2AADATCYP11B1GOT1OPRK1
SCHEMBL29500923 0.77 SLC9A3 (0.38) CYP11B2AADATNOTUMALDH1A1
SCHEMBL9851802 0.76 CYP11B2 (0.41) CYP11B2AADATCYP11B1OPRK1PDE4D
SCHEMBL11778334 0.75 CYP11B2 (0.54) CYP11B2CYP11B1OPRK1PDE4DRIPK1
SCHEMBL21061364 0.72 CYP11B2 (0.45) CYP11B2CYP11B1AVPR1AOPRK1PDE4D
SCHEMBL2340498 0.71 AVPR1A (0.38) CYP11B2AADATCYP11B1AVPR1AOPRK1
SCHEMBL5278269 0.71 AVPR1A (0.38) CYP11B2AADATCYP11B1AVPR1AOPRK1
SCHEMBL29500957 0.70 ALDH1A1 (0.36) CYP11B2CYP11B1RIPK1ALDH1A1
SCHEMBL29500932 0.70 CYP1A2 (0.44) CYP11B2AADATCYP11B1OPRK1PDE4D
Hydrochloric Acid SCHEMBL5277480 0.70 AVPR1A (0.38) CYP11B2AADATCYP11B1AVPR1AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 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-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 CYP11B2 81/4885AADAT 886/4885CYP11B1 63/4885

“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.