SCHEMBL31453051

SCHEMBL31453051

COc1cccc(CCCNc2ccc3oc(C(=O)O)c(C)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ MTNR1A P48039 3/20 0.50
▸ MTNR1B P49286 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL31453054 0.89 KMT2A (0.48) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL26602407 0.88 NPC1 (0.54) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453060 0.88 NPC1 (0.54) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453037 0.87 MCL1 (0.55) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453040 0.87 GAA (0.48) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453063 0.84 GAA (0.44) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453039 0.84 KDM4E (0.60) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453062 0.83 KDM4E (0.48) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL31453066 0.81 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL31453046 0.81 MCL1 (0.49) NPC1RAB9AALDH1A1KDM4EMEN1

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-20250275958-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-09-04 — — US disclosed
EP-4512803-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-02-26 — — EP 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-20250275958-A1 GPCR REGULATOR AND USE THEREOF ARRB1, GPR3, GPR4 NPC1 785/4885RAB9A 696/4885MTNR1A 152/4885

“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.

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