SCHEMBL1306676

SCHEMBL1306676

CC(C)N1CCC(N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
KCNH2 Q12809 3/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
OPRM1 P35372 1/20 0.33
CACNA2D1 P54289 1/20 0.33
BRD4 O60885 1/20 0.33
TAF1 P21675 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1305872 0.90 HRH3 (0.37) HRH3KCNH2CYP2D6ALDH1A1TP53
SCHEMBL1305914 0.80 KDM4E (0.36) ALDH1A1KMT2A
SCHEMBL527479 0.79 DPP4 (0.30)
SCHEMBL17062871 0.79 EPHX2 (0.41) ALDH1A1HTT
SCHEMBL708118 0.78 CCR5 (0.36) OPRM1
SCHEMBL1306189 0.77 ALDH1A1 (0.35) HRH3KCNH2ALDH1A1MEN1KMT2A
SCHEMBL23202694 0.76
SCHEMBL1305394 0.76 SMN1; SMN2 (0.44) HRH3ALDH1A1OPRM1SIGMAR1
SCHEMBL3283645 0.76 L3MBTL3 (0.33) GAA
SCHEMBL1700241 0.75

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
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 HRH3 1286/4885KCNH2 4668/4885CYP2D6 4370/4885

“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.