SCHEMBL30801014

SCHEMBL30801014

O=C(O)c1ncc(C2CC2)cc1NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHODH Q02127 10/20 0.36
ALDH1A1 P00352 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL29188244 1.00 HCAR3 (0.42) HCAR3L3MBTL1KDM4EGLAHTT
SCHEMBL29188208 0.94 HCAR3 (0.44) HCAR3L3MBTL1KDM4EGLAHTT
SCHEMBL30801012 0.94 HCAR3 (0.44) HCAR3L3MBTL1KDM4EGLAHTT
SCHEMBL29188212 0.89 HCAR3 (0.35) HCAR3L3MBTL1KDM4EGLAHTT
SCHEMBL31233650 0.89 HCAR3 (0.35) HCAR3L3MBTL1KDM4EGLAHTT
SCHEMBL30801017 0.84 DHODH (0.36) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL29188261 0.84 DHODH (0.36) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL29188263 0.84 DHODH (0.36) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL30801016 0.84 DHODH (0.36) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL31233476 0.84 OPRK1 (0.40) HCAR3DHODHEGLN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327385-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS LIANG GUIBAI (US) 2024-10-03 US disclosed
CN-117865941-A Substituted piperidine compounds, process for their preparation and their use 上海方予健康医药科技有限公司 2024-04-12 CN 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-20240327385-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS REN, ACE, AGTR1 HCAR3 2198/4885L3MBTL1 4881/4885KDM4E 2421/4885

“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.