SCHEMBL6071087

SCHEMBL6071087

CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.45
HSD11B1 P28845 1/20 0.44
USP30 Q70CQ3 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PARP1 P09874 1/20 0.42
PDE4B Q07343 1/20 0.42
GPR119 Q8TDV5 3/20 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
SCHEMBL25339310 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL13963235 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL13963237 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL13963234 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL32671859 0.92 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL30368581 0.92 SIGMAR1 (0.52) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL28693156 0.91 SIGMAR1 (0.44) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL13569652 0.91 SIGMAR1 (0.44) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL31520646 0.90 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL13243625 0.85 USP30 (0.57) SMN1; SMN2NPC1RAB9AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096771-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
EP-1664026-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-20080207693-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
US-20080207693-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
US-20070225499-A1 Process for the Preparation of 2,2-Disubstituted Pyrroles MERCK & CO., INC. 2007-09-27 US disclosed
US-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. 2006-10-19 US disclosed
US-20050038074-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-02-17 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 (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-20070225499-A1 Process for the Preparation of 2,2-Disubstituted Pyrroles KIF5B, KIF5A, KIF5C SMN1; SMN2 1287/4885NPC1 2288/4885RAB9A 2170/4885
US-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator KIF5B, KIF2C, KIF5C SMN1; SMN2 1979/4885NPC1 1011/4885RAB9A 1615/4885
US-20050038074-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B SMN1; SMN2 1987/4885NPC1 1291/4885RAB9A 1418/4885
US-20080207693-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF23 SMN1; SMN2 2073/4885NPC1 1071/4885RAB9A 1651/4885

“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.