SCHEMBL18094875

SCHEMBL18094875

O=C(Nc1ccc2cc(Cl)ccc2c1)C1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.47
ULK1 O75385 2/20 0.47
JAK3 P52333 1/20 0.46
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KHK P50053 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
SCHEMBL1534438 0.87 NPC1 (0.53) JAK3KMT2A
SCHEMBL18094907 0.84 BCL9 (0.48) ULK1KMT2AKHK
SCHEMBL22644321 0.81 MALT1 (0.58) ALOX15MEN1LMNAHPGDALOX12
SCHEMBL29458485 0.81 MALT1 (0.58) ALOX15MEN1LMNAHPGDALOX12
Hydrochloric Acid SCHEMBL30664787 0.80 MALT1 (0.57) ALOX15MEN1LMNAHPGDALOX12
Hydrochloric Acid SCHEMBL22633065 0.80 MALT1 (0.57) ALOX15MEN1LMNAHPGDALOX12
SCHEMBL2451482 0.79 ULK1 (0.56) ULK1HTT
SCHEMBL21670326 0.78 MGLL (0.52) ROCK2ULK1ALOX15MEN1LMNA
SCHEMBL18395563 0.78 KMT2A (0.58) ULK1ALOX15MEN1LMNAHPGD
Hydrochloric Acid SCHEMBL16150007 0.78 ULK1 (0.49) ULK1ALOX15MEN1KMT2ASMN1; SMN2

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-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
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 (2 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 ROCK2 3469/4885ULK1 2279/4885JAK3 4188/4885
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 ROCK2 3469/4885ULK1 2279/4885JAK3 4188/4885

“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.