SCHEMBL20164980

SCHEMBL20164980

CN1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
ALOX15 P16050 2/20 0.59
HSP90AA1 P07900 5/20 0.56
HSP90AB1 P08238 5/20 0.56
SERPINE1 P05121 1/20 0.53
KCNH2 Q12809 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 3/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL20173650 0.88 ALDH1A1 (0.54) HPGDALOX15HSP90AA1HSP90AB1SERPINE1
SCHEMBL20173647 0.88 HPGD (0.54) HPGDALOX15HSP90AA1HSP90AB1SERPINE1
SCHEMBL20173649 0.87 HPGD (0.57) HPGDHSP90AA1HSP90AB1SERPINE1KCNH2
SCHEMBL6780219 0.84 HPGD (0.57) HPGDHSP90AA1HSP90AB1SERPINE1KCNH2
SCHEMBL11613230 0.84 HSP90AA1 (0.72) HPGDHSP90AA1HSP90AB1SERPINE1L3MBTL1
SCHEMBL9816479 0.79 HPGD (0.52) HPGDHSP90AA1HSP90AB1SERPINE1KCNH2
SCHEMBL4319308 0.79 ALDH1A1 (0.54) ALOX15HSP90AA1HSP90AB1KCNH2ALDH1A1
SCHEMBL4598135 0.79 HSP90AA1 (0.52) HPGDALOX15HSP90AA1HSP90AB1KCNH2
SCHEMBL20164970 0.79 GLRA1 (0.59) HPGDALOX15HSP90AA1HSP90AB1KCNH2
SCHEMBL6786556 0.78 MEN1 (0.67) L3MBTL1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449198-B2 Method for treating pain THE UNIVERSITY OF LIVERPOOL (GB) 2019-10-22 US claimed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 US claimed
US-10449198-B2 Method for treating pain THE UNIVERSITY OF LIVERPOOL (GB) 2019-10-22 US disclosed
US-10449198-B2 Method for treating pain THE UNIVERSITY OF LIVERPOOL (GB) 2019-10-22 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 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 (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-10449198-B2 Method for treating pain ACHE, ASAH2, OPRL1 HPGD 180/4885ALOX15 203/4885HSP90AA1 1048/4885
US-20180140608-A1 METHOD ASAH2, ACHE, OPRL1 HPGD 141/4885ALOX15 270/4885HSP90AA1 1655/4885

“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.