SCHEMBL28447489

SCHEMBL28447489

CN1CCN([C@H]2CC[C@H](C(=O)NN)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KCNH2 Q12809 1/20 0.34
USP5 P45974 1/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
ABL1 P00519 1/20 0.33
ACHE P22303 1/20 0.33
WNT1 P04628 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL28456680 1.00 GSK3B (0.39) GSK3BDYRK1AALDH1A1HTTL3MBTL3
SCHEMBL28444960 1.00 GSK3B (0.39) GSK3BDYRK1AALDH1A1HTTL3MBTL3
SCHEMBL4056944 0.81 MKNK1 (0.39) GSK3BDYRK1AALDH1A1HTTLMNA
SCHEMBL19066091 0.80 CHRM1 (0.47) ALDH1A1HTTL3MBTL3L3MBTL1HRH3
SCHEMBL28897472 0.79 L3MBTL3 (0.41) GSK3BDYRK1AALDH1A1L3MBTL3L3MBTL1
SCHEMBL28449145 0.79 L3MBTL3 (0.41) GSK3BDYRK1AALDH1A1L3MBTL3L3MBTL1
SCHEMBL28442548 0.79 HTT (0.62) GSK3BDYRK1AALDH1A1HTTLMNA
SCHEMBL13847402 0.78 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL3L3MBTL1HRH3
SCHEMBL20207439 0.78 ALDH1A1 (0.42) GSK3BDYRK1AALDH1A1HTTL3MBTL3
SCHEMBL363166 0.74

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 GSK3B 1110/4885DYRK1A 915/4885ALDH1A1 1270/4885

“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.