SCHEMBL4129802

SCHEMBL4129802

CC(C)OC(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GRM3 Q14832 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
PDE4B Q07343 1/20 0.39
CREBBP Q92793 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
XPNPEP2 O43895 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL20827525 1.00 ALDH1A1 (0.43) ALDH1A1GRM3MAPK1KMT2AMEN1
SCHEMBL14752960 0.83 MAPT (0.39) MAPTPDE4BTSHR
SCHEMBL26626619 0.81 GRM3 (0.48) ALDH1A1GRM3MAPK1KMT2AMEN1
SCHEMBL26626591 0.81 GRM3 (0.48) ALDH1A1GRM3MAPK1KMT2AMEN1
SCHEMBL1420981 0.81 GRM3 (0.48) ALDH1A1GRM3MAPK1KMT2AMEN1
SCHEMBL20827526 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTSHRRAB9A
SCHEMBL387756 0.80 NPC1 (0.46) MAPTSMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL6197818 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDTSHRRAB9A
SCHEMBL1841156 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDTSHRRAB9A
SCHEMBL14275811 0.79 PDE4B (0.40) ALDH1A1KMT2AMEN1MAPTPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 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-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB ALDH1A1 1899/4885GRM3 3349/4885MAPK1 1482/4885

“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.