SCHEMBL28897473

SCHEMBL28897473

COC(=O)CC(Cc1cc(OC)ccc1N)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.39
▸ ATM Q13315 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ HDAC3 O15379 3/20 0.35
▸ HDAC4 P56524 3/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC7 Q8WUI4 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC10 Q969S8 3/20 0.35
▸ HDAC11 Q96DB2 3/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35

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
SCHEMBL18427996 0.91 ATM (0.41) CACNA1BATMPPARGPPARAAAK1
SCHEMBL28448719 0.88 ATM (0.39) ATMPPARGPPARAAAK1CTSS
SCHEMBL30434971 0.87 AAK1 (0.49) CACNA1BATMAAK1CTSSCTSK
SCHEMBL21061580 0.87 CTSS (0.40) CACNA1BATMAAK1CTSSCTSK
SCHEMBL21061549 0.87 AAK1 (0.49) CACNA1BATMAAK1CTSSCTSK
SCHEMBL29500850 0.87 CTSS (0.40) CACNA1BATMAAK1CTSSCTSK
SCHEMBL28216115 0.84 ATM (0.46) CACNA1BATMALDH1A1HPGDCTSS
SCHEMBL29500942 0.83 MEN1 (0.41) CACNA1BALDH1A1
SCHEMBL28907824 0.82 ATM (0.40) ATMPPARGPPARAAAK1ABCB1
SCHEMBL28527019 0.81 CACNA1B (0.37) CACNA1BATMPPARGPPARAAAK1

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 4 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
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 — — CN 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 CACNA1B 373/4885ATM 4370/4885PPARG 775/4885

“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.

Send feedback