SCHEMBL28968906

SCHEMBL28968906

NNC(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
PKM P14618 1/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43

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
SCHEMBL28449108 1.00 TSHR (0.51) TSHRSMN1; SMN2HPGDPOLBRECQL
SCHEMBL11158442 0.85 TSHR (0.65) TSHRSMN1; SMN2HPGDPOLBRECQL
SCHEMBL28444919 0.84 HPGD (0.67) TSHRSMN1; SMN2HPGDPOLBHTT
SCHEMBL28444912 0.82 HPGD (0.70) TSHRSMN1; SMN2HPGDPOLBHTT
SCHEMBL2226272 0.80 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBRECQL
SCHEMBL21140576 0.80 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBRECQL
SCHEMBL3810198 0.80 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBRECQL
SCHEMBL2687790 0.80 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBRECQL
SCHEMBL28449145 0.79 L3MBTL3 (0.41) SMN1; SMN2ALDH1A1LMNA
SCHEMBL28442548 0.79 HTT (0.62) TSHRHPGDHTTKMT2AALDH1A1

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 3 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

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 TSHR 223/4885SMN1; SMN2 4312/4885HPGD 500/4885

“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.