SCHEMBL16695491

SCHEMBL16695491

C[C@H](c1ccccc1)N1CC[C@@H](C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CHRM4 P08173 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.46
FKBP1A P62942 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL15383657 0.88 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23220928 0.83 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9963139 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL28467513 0.80 KMT2A (0.55) ALDH1A1
SCHEMBL28467515 0.80 KMT2A (0.55) ALDH1A1
SCHEMBL28467467 0.80 KMT2A (0.55) ALDH1A1
SCHEMBL4716794 0.80 CYP2D6 (0.53) ALDH1A1SMN1; SMN2TSHRCYP2C19
SCHEMBL28467466 0.80 KMT2A (0.55) ALDH1A1
SCHEMBL10380722 0.80 KMT2A (0.55) ALDH1A1
SCHEMBL4716797 0.80 CYP2D6 (0.53) ALDH1A1SMN1; SMN2TSHRCYP2C19

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 7 patents. 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
US-20190276398-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2019-09-12 US disclosed
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-26 US disclosed
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
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
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
WO-2015065937-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2015-05-07 WO 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 (4 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 ALDH1A1 1011/4885SMN1; SMN2 3091/4885NPC1 98/4885
US-20190276398-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 ALDH1A1 1011/4885SMN1; SMN2 3091/4885NPC1 98/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 ALDH1A1 961/4885SMN1; SMN2 3055/4885NPC1 86/4885
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 ALDH1A1 961/4885SMN1; SMN2 3055/4885NPC1 86/4885

“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.