SCHEMBL6947539

SCHEMBL6947539

O=C(O)C1CC12CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 1/20 0.50
KDM1A O60341 2/20 0.47
RORC P51449 3/20 0.45
ENPP2 Q13822 2/20 0.45
ATXN2 Q99700 2/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GRIN2B Q13224 2/20 0.43
HTT P42858 1/20 0.43
ACACB O00763 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP2D6 P10635 1/20 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
SCHEMBL8327928 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8325301 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8325296 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18838292 0.92 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18838469 0.92 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2798935 0.92 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL18838470 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23599472 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9566422 0.88 MEN1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9566374 0.87 MEN1 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
EP-0550025-A1 Azaspiroheptanes and octanes and processes for their production KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP claimed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
WO-2021233428-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATION 广州费米子科技有限责任公司 2021-11-25 WO disclosed
WO-2021129737-A1 COMPOUND HAVING KHK INHIBITORY EFFECT 南京明德新药研发有限公司 2021-07-01 WO disclosed
EP-0816355-B1 HETEROCYCLIC SPIRO DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-05-14 EP disclosed
US-6469023-B1 QUINOLONE DERIVATIVE HAVING A 1-AMINO-5- AZABISPIRO(2.4)HEPTYL GROUP AT THE 7-POSITION AND A HALOGENOCYCLOPROPYL GROUP AT THE 1-POSITION; AN ANTIBACTERIAL COMPOUND USEFUL AS MEDICINES, ANIMAL DRUGS, FISHERIES DRUGS OR ANTIBACTERIAL PRESERVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0816355-A1 HETEROCYCLIC SPIRO DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-07 EP disclosed
EP-0550025-A1 Azaspiroheptanes and octanes and processes for their production KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP 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-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP SMN1; SMN2 1391/4885NPC1 664/4885RAB9A 1057/4885

“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.