SCHEMBL19463240

SCHEMBL19463240

c1ccc(CN2CCC(Nc3cn[nH]c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.61
ROCK1 Q13464 5/20 0.61
CCR2 P41597 2/20 0.61
ACHE P22303 4/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
BCHE P06276 1/20 0.52
BACE1 P56817 1/20 0.52
LTA4H P09960 1/20 0.49
MCHR1 Q99705 1/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NTSR1 P30989 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL918426 0.81 KDM4E (0.66) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL6356421 0.78 SIGMAR1 (0.62) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL11465989 0.77 SIGMAR1 (0.62) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL19466028 0.77 ACHE (0.58) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL4465185 0.77 MEN1 (0.55) ROCK2ROCK1CCR2ACHEHRH3
SCHEMBL924357 0.76 ACHE (0.68) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL5409256 0.76 ROCK2 (0.83) ROCK2ROCK1CCR2KDM4EKMT2A
SCHEMBL224917 0.76 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL7288248 0.75 ACHE (0.68) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL15919764 0.75 SIGMAR1 (0.62) ROCK2ROCK1CCR2ACHEKDM4E

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
US-10577360-B2 Arylamide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-03 US disclosed
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-02 US disclosed
EP-3442960-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-02-20 EP disclosed
WO-2017178510-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-19 WO 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-10577360-B2 Arylamide derivatives having multimodal activity against pain OPRD1, TRPV1, OPRL1 ROCK2 3123/4885ROCK1 4414/4885CCR2 523/4885
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, TRPV1, OPRL1 ROCK2 3123/4885ROCK1 4414/4885CCR2 523/4885

“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.