SCHEMBL21702246

SCHEMBL21702246

O=C(CNC(=O)c1cc2ccccc2s1)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
CTSL P07711 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TACR2 P21452 1/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
CLK1 P49759 1/20 0.38

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
SCHEMBL23506368 1.00 OPRM1 (0.41) OPRM1CTSLSLC6A2SLC6A4TACR2
SCHEMBL23506382 1.00 OPRM1 (0.41) OPRM1CTSLSLC6A2SLC6A4TACR2
SCHEMBL23711631 0.95 CTSL (0.45) OPRM1CTSLSLC6A2SLC6A4TACR2
SCHEMBL21702244 0.95 CTSL (0.45) OPRM1CTSLSLC6A2SLC6A4TACR2
SCHEMBL23506316 0.95 CTSL (0.45) OPRM1CTSLSLC6A2SLC6A4TACR2
SCHEMBL21702278 0.89 KLKB1 (0.51) CTSLTACR2
SCHEMBL23506293 0.89 KLKB1 (0.51) CTSLTACR2
SCHEMBL23506231 0.88 OPRM1 (0.43) OPRM1SLC6A2SLC6A4
SCHEMBL23506317 0.88 OPRM1 (0.43) OPRM1SLC6A2SLC6A4
SCHEMBL23506253 0.88 OPRM1 (0.47) OPRM1CTSLSLC6A2SLC6A4

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
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
WO-2021151387-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND 中国科学院上海药物研究所 2021-08-05 WO disclosed
WO-2020030143-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2020-02-13 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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS OPRM1 1004/4885CTSL 1/4885SLC6A2 4182/4885

“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.