SCHEMBL1745955

SCHEMBL1745955

O=C(O)CC1(CNC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CTSL P07711 3/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
CTSK P43235 2/20 0.43
EGLN2 Q96KS0 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL394093 0.82 ALDH1A1 (0.50) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL27641460 0.81 CTSL (0.41) CTSLCTSSCTSBALDH1A1LMNA
SCHEMBL3647693 0.81 CTSL (0.53) HTTCTSLCTSSCTSBALDH1A1
SCHEMBL25857104 0.81 CTSL (0.53) HTTCTSLCTSSCTSBALDH1A1
SCHEMBL6367600 0.81 ALDH1A1 (0.50) HTTALDH1A1MEN1KMT2AGAA
SCHEMBL4861409 0.81 CTSL (0.53) HTTCTSLCTSSCTSBALDH1A1
SCHEMBL2972573 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AGAAUSP2HPGD
SCHEMBL14476418 0.80 LMNA (0.55) HTTCTSLCTSSCTSBALDH1A1
SCHEMBL14476350 0.80 LMNA (0.55) HTTCTSLCTSSCTSBALDH1A1
SCHEMBL6368353 0.80 LMNA (0.50) CTSLCTSSCTSBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563758-A1 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN LACER, S.A. (ES) 2013-03-06 EP disclosed
US-20130046012-A1 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN LACER, S.A. (ES) 2013-02-21 US disclosed
WO-2011135007-A1 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN LACER, S.A. (ES) 2011-11-03 WO disclosed
EP-2383255-A1 New compounds, synthesis and use thereof in the treatment of pain LACER, S.A. (ES) 2011-11-02 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-20130046012-A1 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN OPRL1, OPRK1, TRPV1 HTT 1810/4885CTSL 1676/4885CTSS 917/4885

“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.