SCHEMBL5855459

SCHEMBL5855459

COc1cccc(NC(=O)NC[C@H](C)CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CCR3 P51677 10/20 0.57
MCHR1 Q99705 2/20 0.55
HTR2A P28223 2/20 0.51
DRD2 P14416 1/20 0.49
ADRA1A P35348 1/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
FAAH O00519 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
SCHEMBL4034536 0.82 MCHR1 (0.65) MEN1KMT2ACCR3MCHR1DRD2
SCHEMBL5741336 0.81 CCR3 (0.56) MEN1KMT2ACCR3MCHR1DRD2
SCHEMBL5741334 0.81 CCR3 (0.56) MEN1KMT2ACCR3MCHR1DRD2
SCHEMBL3928596 0.78 CCR3 (0.58) MEN1KMT2ACCR3TP53NPC1
SCHEMBL6840044 0.78 CCR3 (0.58) MEN1KMT2ACCR3TP53NPC1
SCHEMBL5580108 0.78 CCR3 (0.58) MEN1KMT2ACCR3TP53NPC1
SCHEMBL5741643 0.77 CCR3 (0.61) MEN1KMT2ACCR3HTR2A
SCHEMBL5741649 0.77 CCR3 (0.61) MEN1KMT2ACCR3HTR2A
SCHEMBL5854789 0.77 CCR3 (0.61) MEN1KMT2ACCR3HTR2A
SCHEMBL4033889 0.77 MCHR1 (0.58) MEN1KMT2ACCR3MCHR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 US disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 US disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 MEN1 3264/4885KMT2A 2923/4885CCR3 1/4885

“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.