SCHEMBL16489792

SCHEMBL16489792

COCC(=O)C1CCN(C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL16424613 0.99 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL16489799 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL28572864 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL4916421 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL9488076 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL10832186 0.82 MEN1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL27692260 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL22981228 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL28004659 0.78 KMT2A (0.33) MEN1KMT2ANPSR1
SCHEMBL29707055 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19

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
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 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 (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-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT NPC1 1914/4885RAB9A 212/4885SMN1; SMN2 2670/4885

“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.