SCHEMBL23360573

SCHEMBL23360573

COc1cnc2cccc(N[C@H]3CCN(C(=O)O)C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.46
MTNR1A P48039 5/20 0.46
PIK3CD O00329 7/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
ROCK2 O75116 2/20 0.41
HPGDS O60760 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40

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
SCHEMBL23360110 1.00 MTNR1B (0.46) MTNR1BMTNR1APIK3CDNOS3NOS1
SCHEMBL23360112 1.00 MTNR1B (0.46) MTNR1BMTNR1APIK3CDNOS3NOS1
SCHEMBL28834217 0.88 PIK3CD (0.54) MTNR1BMTNR1APIK3CDEGFRPIK3CA
SCHEMBL28834216 0.88 PIK3CD (0.54) MTNR1BMTNR1APIK3CDEGFRPIK3CA
SCHEMBL29933521 0.88 PIK3CD (0.54) MTNR1BMTNR1APIK3CDEGFRPIK3CA
SCHEMBL29863056 0.88 PIK3CD (0.54) MTNR1BMTNR1APIK3CDEGFRPIK3CA
SCHEMBL23360581 0.86 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGROCK2
SCHEMBL23360582 0.86 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGROCK2
SCHEMBL23360554 0.84 MCHR1 (0.53) MTNR1BNOS3NOS1NOS2CCNA2
SCHEMBL23360667 0.84 CCNK (0.44) EGFRROCK2CCNA2CDK2CDK7

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-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORPORATION (KR) 2021-05-20 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 (2 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-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL MTNR1B 4021/4885MTNR1A 4529/4885PIK3CD 641/4885
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS FAP, APC, VHL MTNR1B 4021/4885MTNR1A 4529/4885PIK3CD 641/4885

“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.