SCHEMBL7241024

SCHEMBL7241024

CN(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
GAA P10253 1/20 0.61
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
MAPK14 Q16539 4/20 0.60
HTR2B P41595 2/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
LMNA P02545 1/20 0.55

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
SCHEMBL9253489 0.95 HTT (0.58) HTTCA12CA1CA2CA7
SCHEMBL10719972 0.89 HTT (0.78) HTTCA12CA1CA2CA7
SCHEMBL7242121 0.86 LMNA (0.58) HTTCA12CA1CA2CA7
SCHEMBL7232379 0.86 HTT (0.73) HTTCA12CA1CA2CA7
SCHEMBL29941294 0.85 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL7238728 0.84 HTT (0.70) HTTCA12CA1CA2CA7
SCHEMBL3455691 0.83 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL95918 0.83 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL17730097 0.83 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL7238944 0.83 CA12 (0.73) HTTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002523448-A 2002-07-30 JP claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP claimed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO claimed
US-6541477-B2 Treating inflammation and cardiac conditions with compositions containing acylated piperazine or piperidine rings coupled to phenyl and other aryl groups, such a furan or thiophene SCIOS, INC. 2003-04-01 US disclosed
US-20020115671-A1 Inhibitors of p38-a kinase SCIOS, INC. 2002-08-22 US disclosed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US disclosed
WO-2001064676-A2 INHIBITORS OF p38-α KINASE SCIOS, INC. (US) 2001-09-07 WO disclosed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP disclosed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 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 (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-20020115671-A1 Inhibitors of p38-a kinase MAPK1, MAP3K1, MAP3K6 HTT 4186/4885CA12 4725/4885CA1 2028/4885

“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.