SCHEMBL29675922

SCHEMBL29675922

CCC(=O)N[C@H](C)c1ccnc(N(C)CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
ACACB O00763 7/20 0.39
ACACA Q13085 2/20 0.38
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
ALOX12 P18054 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL29676226 0.89 ACACB (0.45) NPC1RAB9AL3MBTL1MAPK1ACACB
SCHEMBL29675578 0.86 NPC1 (0.44) NPC1RAB9AL3MBTL1ACACBACACA
SCHEMBL20889910 0.79 POLB (0.50) L3MBTL1TRPV1POLBMAPK1ALDH1A1
SCHEMBL29676067 0.77 NPC1 (0.44) NPC1RAB9AL3MBTL1MAPK1ACACB
SCHEMBL29675753 0.74 NPC1 (0.47) NPC1RAB9AL3MBTL1ACACBACACA
SCHEMBL568811 0.74 POLB (0.45) TRPV1POLB
SCHEMBL29675931 0.73 MAPK1 (0.41) NPC1RAB9AL3MBTL1MAPK1ALOX12
SCHEMBL12975641 0.71 ROCK2 (0.51) L3MBTL1MAPK1ACACBACACAHTT
SCHEMBL29675982 0.68 ACACB (0.49) MAPK1ACACB
SCHEMBL9906946 0.68 POLB (0.54) NPC1RAB9APOLBMAPK1ALDH1A1

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 NPC1 2619/4885RAB9A 3664/4885L3MBTL1 914/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NPC1 2619/4885RAB9A 3664/4885L3MBTL1 914/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NPC1 2623/4885RAB9A 3631/4885L3MBTL1 911/4885

“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.