SCHEMBL4500431

SCHEMBL4500431

O=C(c1cc2cc[nH]c2cc1Cl)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
HTR2A P28223 3/20 0.48
HTR2C P28335 2/20 0.48
DRD4 P21917 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
PRKAA2 P54646 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
SCHEMBL5279234 0.83 MAPK14 (0.62) MAPK14HTR2AHTR2CHTR7HRH4
Hydrochloric Acid SCHEMBL27516130 0.82 MAPK14 (0.61) MAPK14HTR2AHTR2CHTR7HRH4
SCHEMBL6096558 0.82 MAPK14 (0.63) MAPK14HTR2AHTR2CDRD4SLC6A2
SCHEMBL13936069 0.82 MAPK14 (0.62) MAPK14HTR2B
SCHEMBL5278050 0.78 HTR2A (0.63) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL5276367 0.78 MAPK14 (0.64) MAPK14HTR2AHTR2CDRD4SLC6A2
Hydrochloric Acid SCHEMBL28742945 0.77 MAPK14 (0.63) MAPK14HTR2AHTR2CDRD4SLC6A2
Hydrochloric Acid SCHEMBL27499109 0.77 HTR2A (0.62) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL4500424 0.77 CCR1 (0.51) MAPK14
SCHEMBL4500428 0.77 CCR1 (0.51) MAPK14

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-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 MAPK14 28/4885HTR2A 530/4885HTR2C 363/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885HTR2A 573/4885HTR2C 492/4885

“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.