SCHEMBL28448704

SCHEMBL28448704

CCOC(=O)C1CCC(CC)(OCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL21061586 0.87 MAPT (0.43) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL28445060 0.86 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1700730 0.82 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21743066 0.81 MAPT (0.46) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL28451183 0.81 MAPT (0.46) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21061853 0.79 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16089711 0.78 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL9958117 0.78 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL12697848 0.78 MAPT (0.44) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21062057 0.77 RAB9A (0.31)

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 MAPT 2132/4885ALDH1A1 1270/4885CYP3A4 313/4885

“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.