SCHEMBL28448719

SCHEMBL28448719

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ AAK1 Q2M2I8 5/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ REN P00797 2/20 0.35
▸ TACR1 P25103 1/20 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
SCHEMBL28907824 0.94 ATM (0.40) ATMAAK1MAPTSMN1; SMN2LMNA
SCHEMBL18428089 0.90 ATM (0.42) ATMAAK1MAPTSMN1; SMN2LMNA
SCHEMBL21061580 0.88 CTSS (0.40) ATMAAK1KLK5CTSLTACR1
SCHEMBL30434971 0.88 AAK1 (0.49) ATMAAK1KLK5CTSSCTSK
SCHEMBL21061549 0.88 AAK1 (0.49) ATMAAK1KLK5CTSSCTSK
SCHEMBL29500850 0.88 CTSS (0.40) ATMAAK1KLK5CTSLTACR1
SCHEMBL28897473 0.88 CACNA1B (0.39) ATMAAK1LMNAKLK5PPARG
SCHEMBL28216115 0.85 ATM (0.46) ATMMAPTLMNATP53PKM
SCHEMBL28447548 0.83 GSTP1 (0.40) ATMAAK1MAPTSMN1; SMN2LMNA
SCHEMBL18270514 0.82 AAK1 (0.39) ATMAAK1LMNATP53HSP90AA1

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 ATM 4370/4885AAK1 1537/4885MAPT 2132/4885

“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.

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