SCHEMBL24535002

SCHEMBL24535002

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(N1CCC(C(=O)OCc3ccccc3)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.44
CHRM1 P11229 6/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
STS P08842 1/20 0.44
CTSL P07711 1/20 0.43
CYP2C19 P33261 1/20 0.43
AGTR2 P50052 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FKBP1A P62942 1/20 0.40

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
SCHEMBL24534722 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTCHRM1
SCHEMBL29584225 0.89 CHRM2 (0.50) SMN1; SMN2NPC1RAB9AHTTCHRM1
SCHEMBL25090677 0.89 CHRM2 (0.50) SMN1; SMN2NPC1RAB9AHTTCHRM1
SCHEMBL1207201 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCHRM1
SCHEMBL27233064 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACHRM1STS
SCHEMBL27233066 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACHRM1STS
SCHEMBL24534725 0.85 CTSL (0.45) SMN1; SMN2NPC1RAB9AHTTCHRM1
SCHEMBL24535019 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACHRM1STS
SCHEMBL24535010 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACHRM1STS
SCHEMBL2374261 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999745-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2024-06-04 US disclosed
EP-4263536-A1 PHARMACEUTICAL COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-25 EP disclosed
CN-116848109-A Pharmaceutical compounds 赫普泰雅治疗有限公司 2023-10-03 CN disclosed
US-20220380379-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-12-01 US disclosed
WO-2022129951-A1 PHARMACEUTICAL COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed
WO-2022129951-A1 PHARMACEUTICAL COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 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 (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-11999745-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 SMN1; SMN2 2502/4885NPC1 945/4885RAB9A 1711/4885
US-20220380379-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 SMN1; SMN2 2502/4885NPC1 945/4885RAB9A 1711/4885

“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.