SCHEMBL29675453

SCHEMBL29675453

CCC(=O)N[C@H](C)c1cccc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.47
ACACB O00763 3/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 5/20 0.42
AKT1 P31749 3/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNA7 P36544 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
SCHEMBL29675364 0.87 HTR3E (0.46) ACACBMAPK1RAB9ACHRNA7
SCHEMBL18765485 0.87 HTR3E (0.46) ACACBMAPK1RAB9ACHRNA7
SCHEMBL29675445 0.86 ACACB (0.43) ACACBMAPK1ALDH1A1KDM4EGAA
SCHEMBL29675744 0.86 AOC3 (0.45) ACACBMAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL29675686 0.83 PIM2 (0.45) ACACBMAPK1RAB9ACHRNA7
SCHEMBL29675721 0.83 PIM2 (0.45) ACACBMAPK1RAB9ACHRNA7
SCHEMBL29675519 0.83 MAPK1 (0.43) ACACBMAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29675797 0.82 ACACB (0.49) ACACBMAPK1
SCHEMBL29675900 0.81 ACACB (0.43) ACACBMAPK1CHRNA7
SCHEMBL29676120 0.80 ACACB (0.48) ACACBTSHRKDM4E

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 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 (3 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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 SHMT2 3479/4885ACACB 3916/4885TSHR 1190/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 SHMT2 3479/4885ACACB 3916/4885TSHR 1190/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 SHMT2 3481/4885ACACB 3918/4885TSHR 1191/4885

“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.