SCHEMBL560897

SCHEMBL560897

CC(C)(C)OC(=O)N1CCC(CCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.55
RAD52 P43351 3/20 0.53
TP53 P04637 5/20 0.52
MAPK1 P28482 5/20 0.52
CYP1A2 P05177 3/20 0.52
ABCB1 P08183 3/20 0.52
HTR1A P08908 3/20 0.52
ADRA2A P08913 3/20 0.52
ADORA3 P0DMS8 3/20 0.52
CYP2D6 P10635 3/20 0.52
CHRM1 P11229 3/20 0.52
DRD1 P21728 3/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
ADRA1A P35348 3/20 0.52
DRD3 P35462 3/20 0.52
THPO P40225 3/20 0.52
MTOR P42345 3/20 0.52
SLC6A3 Q01959 3/20 0.52
KCNH2 Q12809 3/20 0.52

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
SCHEMBL560706 0.95 FPR2 (0.58) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL30534415 0.85 FPR2 (0.71) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL21445213 0.85 FPR2 (0.71) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4275410 0.83 RAD52 (0.51) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4274255 0.81 FPR2 (0.61) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL23039437 0.80 FPR2 (0.72) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL21445215 0.80 FPR2 (0.72) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL30056330 0.80 FPR2 (0.72) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4278875 0.80 FPR2 (0.60) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL7396081 0.80 BCHE (0.55) CYP1A2HTR1AADRA2AADORA3CYP2D6

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-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same CORRIDOR PHARMACEUTICALS, INC. 2012-02-09 US disclosed
US-7981885-B2 N-[3-substituted piperazino] alkylphenothiazines; antiproliferative agents, apoptotic agents; 5-HT receptor antagonists IMMUNE CONTROL INC. (US) 2011-07-19 US disclosed
US-7923445-B2 10-{3-[4-(2-Amino)ethylpiperazinyl]propyl}2-trifluoromethylphenothiazine and analogues and derivatives; antiproliferative agents; serotonin receptor antagonists; apoptosis in activated lymphocytes, including T, B, and and mylenoma cells; asthma; antiarthritic agents; rheumatic diseeases IMMUNE CONTROL, INC. (US) 2011-04-12 US disclosed
EP-2061788-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES RELATED TO ACTIVATED LYMPHOCYTES Immune Control, Inc. (US) 2009-05-27 EP disclosed
US-20080132697-A1 Novel compositions for treatment of diseases related to activated lymphocytes IMMUNE CONTROL, INC. (US) 2008-06-05 US disclosed
US-20080125415-A1 Novel methods for treatment of diseases related to activated lymphocytes IMMUNE CONTROL, INC. (US) 2008-05-29 US disclosed
WO-2008027521-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES RELATED TO ACTIVATED LYMPHOCYTES IMMUNE CONTROL, INC. (US) 2008-03-06 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 (3 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-20080132697-A1 Novel compositions for treatment of diseases related to activated lymphocytes NFATC1, CD4, TPH1 FPR2 43/4885RAD52 3326/4885TP53 1471/4885
US-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same NFATC1, BAX, BCL2 FPR2 153/4885RAD52 3198/4885TP53 379/4885
US-20080125415-A1 Novel methods for treatment of diseases related to activated lymphocytes HTR5A, TPH1, TPH2 FPR2 47/4885RAD52 2652/4885TP53 2316/4885

“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.