SCHEMBL21061928

SCHEMBL21061928

COC(=O)C1CCN(Cc2ccccn2)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 5/20 0.58
POLB P06746 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LTA4H P09960 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.48

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
SCHEMBL30435016 1.00 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL28451423 1.00 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL28451514 1.00 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL21061629 0.84 L3MBTL1 (0.82) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL21061969 0.84 L3MBTL1 (0.82) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL21061948 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL29500889 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL21061923 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL21061611 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL30435191 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1KDM4EPOLBCYP2D6

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 L3MBTL1 3344/4885ALDH1A1 1270/4885KDM4E 3751/4885

“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.