SCHEMBL18101784

SCHEMBL18101784

CC[C@@H](C)C(=O)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PTPN1 P18031 1/20 0.37
PDE4B Q07343 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5071034 0.85 LMNA (0.51) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL18101800 0.82 PDE4B (0.42) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL10827630 0.81 MEN1 (0.45) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL2281345 0.80 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL1186911 0.80 MEN1 (0.52) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL15654561 0.80 RAB9A (0.53) KMT2AMEN1LMNAHPGDNPC1
SCHEMBL7860591 0.80 MEN1 (0.45) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL10827795 0.79 MEN1 (0.43) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL10016275 0.79 KMT2A (0.46) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL18101745 0.78 PARP10 (0.47) KMT2AMEN1HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 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-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 KMT2A 4264/4885MEN1 3369/4885SMN1; SMN2 3055/4885

“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.