SCHEMBL29374264

SCHEMBL29374264

CCOC(=O)[C@@H]1C2CCC(CC2)[C@H]1N[C@@H](C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 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
SCHEMBL23986820 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL29374639 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL24233328 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL24233327 0.82 KDM4E (0.46) KDM4E
SCHEMBL23611010 0.82 KDM4E (0.46) KDM4E
SCHEMBL13920529 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL13920527 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL21795656 0.76 SLC6A3 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL21795655 0.76 SLC6A3 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL21104774 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR

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
EP-3904333-B1 METHOD FOR PREPARING (2S,3S)-3-AMINO-BICYCLO[2.2.2]OCTANE-2-CARBOXYLATE GUANGDONG RAFFLES PHARMATECH CO LTD (CN) 2024-12-04 EP disclosed
US-20220033344-A1 METHOD FOR PREPARING (2S,3S)-3-AMINO-BICYCLO[2.2.2]OCTANE-2-CARBOXYLATE GUANGDONG RAFFLES PHARMATECH CO., LTD (CN) 2022-02-03 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-20220033344-A1 METHOD FOR PREPARING (2S,3S)-3-AMINO-BICYCLO[2.2.2]OCTANE-2-CARBOXYLATE ACMSD, HCAR2, SLC3A2 ALDH1A1 1227/4885KDM4E 1503/4885SMN1; SMN2 3340/4885

“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.