SCHEMBL9712336

SCHEMBL9712336

O=C(O)[C@@H]1CNCCN1C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.62
TACR1 P25103 3/20 0.48
ALDH1A1 P00352 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
SCHEMBL9712338 1.00 AGTR2 (0.62) AGTR2TACR1ALDH1A1
Acetic Acid SCHEMBL7387159 0.96 AGTR2 (0.58) AGTR2TACR1ALDH1A1
Acetic Acid SCHEMBL7387154 0.96 AGTR2 (0.58) AGTR2TACR1ALDH1A1
SCHEMBL7422576 0.90 AGTR2 (0.52) AGTR2TACR1ALDH1A1
SCHEMBL7422588 0.90 AGTR2 (0.52) AGTR2TACR1ALDH1A1
SCHEMBL7385924 0.89 AGTR2 (0.51) AGTR2TACR1ALDH1A1
SCHEMBL7385930 0.89 AGTR2 (0.51) AGTR2TACR1ALDH1A1
SCHEMBL30743875 0.89 AGTR2 (0.52) AGTR2TACR1ALDH1A1
Acetic Acid SCHEMBL7384587 0.88 AGTR2 (0.50) AGTR2TACR1
Bromide SCHEMBL7378735 0.88 TACR1 (0.53) AGTR2TACR1ALDH1A1

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
US-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
EP-3760620-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-06 EP disclosed
WO-2019161781-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF 北京泰德制药股份有限公司 2019-08-29 WO disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 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-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF TACR1, TACR2, GPBAR1 AGTR2 13/4885TACR1 1/4885ALDH1A1 1075/4885

“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.