SCHEMBL4281962

SCHEMBL4281962

CNCC(=O)N(CCCN1CCC(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.55
RAD52 P43351 3/20 0.51
LMNA P02545 6/20 0.51
MAPT P10636 6/20 0.51
MAPK1 P28482 5/20 0.51
TP53 P04637 5/20 0.51
CYP3A4 P08684 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 4/20 0.51
HTR1A P08908 4/20 0.51
CYP2D6 P10635 4/20 0.51
CHRM1 P11229 4/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
ADRA1A P35348 4/20 0.51
DRD3 P35462 4/20 0.51
SLC6A3 Q01959 4/20 0.51
KCNH2 Q12809 4/20 0.51
ABCB1 P08183 3/20 0.51
ADRA2A P08913 3/20 0.51

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
SCHEMBL4277176 0.92 FPR2 (0.57) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL4278875 0.88 FPR2 (0.60) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL4274255 0.82 FPR2 (0.61) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL4271320 0.82 FPR2 (0.62) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL10168008 0.81 FPR2 (0.61) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL3399336 0.81 FPR2 (0.65) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL560706 0.80 FPR2 (0.58) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL4283601 0.80 TP53 (0.76) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL4281060 0.80 FPR2 (0.68) FPR2RAD52LMNAMAPTMAPK1
SCHEMBL4281964 0.80 FPR2 (0.51) FPR2RAD52LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275557-A1 Novel Composition for Treatment of Diseases Related to Activated Lymphocytes IMMUNE CONTROL, INC. (US) 2009-11-05 US 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-20090275557-A1 Novel Composition for Treatment of Diseases Related to Activated Lymphocytes TPH1, HTR5A, HTR6 FPR2 43/4885RAD52 3118/4885LMNA 1507/4885

“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.