SCHEMBL29604657

SCHEMBL29604657

[2H]c1ccc2c(c1)CCC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PKM P14618 2/20 0.37
PKLR P30613 1/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
MGAM O43451 3/20 0.34
GAA P10253 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
COXFA4 O00483 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CES2 O00748 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
SCHEMBL546544 0.85 SIGMAR1 (0.45) MAPTRAB9ANPC1KDM1AMAOA
SCHEMBL29736073 0.85 SIGMAR1 (0.45) MAPTRAB9ANPC1KDM1AMAOA
Hydrochloric Acid SCHEMBL27471847 0.83 SIGMAR1 (0.44) MAPTRAB9ANPC1KDM1AMAOA
Ammonia Solution, Strong SCHEMBL29163352 0.83 SIGMAR1 (0.44) MAPTRAB9ANPC1KDM1AMAOA
Formaldehyde SCHEMBL27942062 0.80 IDO1 (0.42) MAPTRAB9ANPC1KDM1AMAOA
Formamide SCHEMBL28452016 0.76 IDO1 (0.40) MAPTRAB9ANPC1KDM1AMAOA
SCHEMBL7326936 0.74 KDM1A (0.42) MAPTRAB9ANPC1KDM1AMAOA
SCHEMBL7606467 0.69 PKM (0.40) MAPTRAB9ANPC1KDM1AMAOA
SCHEMBL6849624 0.69 PKM (0.49) MAPTRAB9ANPC1KDM1AMAOA
SCHEMBL5308527 0.69 NPC1 (0.43) MAPTRAB9ANPC1KDM1AMAOA

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-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2022-06-14 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-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 MAPT 3882/4885RAB9A 1937/4885NPC1 98/4885

“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.