SCHEMBL21061548

SCHEMBL21061548

NNC(=O)C1CCN(C(=O)c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
SLC18A3 Q16572 4/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 2/20 0.48
KLK7 P49862 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47
VNN1 O95497 1/20 0.47

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
SCHEMBL30435357 1.00 GAA (0.56) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL29500984 0.82 GAA (0.65) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL21061599 0.82 GAA (0.65) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL18118171 0.80 CHRNB2 (0.57) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL30480166 0.80 CHRNB2 (0.57) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL14275546 0.80 CHRNB2 (0.57) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL15017250 0.79 VNN1 (0.65) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL30589315 0.79 VNN1 (0.65) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL15017254 0.79 VNN1 (0.65) GAASLC18A3CHRNB2CHRNB4CHRNA3
SCHEMBL5908875 0.79 VNN1 (0.67) GAACHRNB2CHRNB4CHRNA3CHRNA7

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 6 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
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO 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 GAA 2982/4885SLC18A3 284/4885CHRNB2 1224/4885

“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.