SCHEMBL22472880

SCHEMBL22472880

COC(=O)N1C(C)CC(N2CCC(N3CCCCCC3=O)CC2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.35
VNN1 O95497 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.33
KDM5A P29375 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
AOC3 Q16853 1/20 0.33
F10 P00742 1/20 0.32
DPP4 P27487 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL22472924 0.99 MMP13 (0.36) MMP13VNN1KDM4ENPC1RAB9A
SCHEMBL22472926 0.88 MAPK1 (0.43) KMT2AALDH1A1MAPK1AOC3
SCHEMBL22472890 0.87 MAPK1 (0.41) VNN1KMT2AMAPK1AOC3
SCHEMBL22449321 0.85 MMP13 (0.34) MMP13VNN1KDM4ENPC1RAB9A
SCHEMBL22449317 0.84 MMP13 (0.34) MMP13VNN1KDM4ENPC1RAB9A
SCHEMBL22472935 0.75 HPGD (0.47) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21597934 0.74 MAPK1 (0.41) KMT2AMAPK1
SCHEMBL10074405 0.74 NPC1 (0.44) MMP13VNN1NPC1RAB9AKMT2A
SCHEMBL22449299 0.73 MAPK1 (0.39) KMT2AMAPK1AOC3
SCHEMBL27176059 0.72 LTA4H (0.34) VNN1KDM4ENPY5RKDM5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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 (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-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 MMP13 4317/4885VNN1 2471/4885KDM4E 2436/4885

“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.