SCHEMBL5563345

SCHEMBL5563345

COc1cccc(NC(=O)Nc2ccccc2N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
TSHR P16473 3/20 0.57
TP53 P04637 3/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 1/20 0.54
CCR3 P51677 2/20 0.54
FAAH O00519 1/20 0.53
HTT P42858 1/20 0.52
PTGER3 P43115 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALOX15 P16050 1/20 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
SCHEMBL4034536 0.80 MCHR1 (0.65) MAPTCCR3NPC1RAB9AALDH1A1
SCHEMBL5580108 0.79 CCR3 (0.58) KDM4EMAPTTSHRTP53HSD17B10
SCHEMBL3928596 0.79 CCR3 (0.58) KDM4EMAPTTSHRTP53HSD17B10
SCHEMBL6840044 0.79 CCR3 (0.58) KDM4EMAPTTSHRTP53HSD17B10
SCHEMBL5741334 0.77 CCR3 (0.56) KDM4EMAPTTSHRTP53HSD17B10
SCHEMBL5741336 0.77 CCR3 (0.56) KDM4EMAPTTSHRTP53HSD17B10
SCHEMBL5744159 0.77 CCR3 (0.53) KDM4EMAPTTSHRTP53HSD17B10
SCHEMBL5556626 0.76 POLB (0.60) KDM4EMAPTTSHRGAACCR3
SCHEMBL5562675 0.75 MEN1 (0.61) KDM4EMAPTGAAFAAHSMN1; SMN2
SCHEMBL4033889 0.75 MCHR1 (0.58) KDM4EMAPTTSHRTP53HSD17B10

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
EP-1453514-B1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA HOFFMANN LA ROCHE (CH) 2007-07-18 EP claimed
US-6906073-B2 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-06-14 US claimed
EP-1453514-A1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP claimed
US-20030176441-A1 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2003-09-18 US claimed
WO-2003045393-A1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO claimed
EP-1453514-B1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA HOFFMANN LA ROCHE (CH) 2007-07-18 EP disclosed
US-6906073-B2 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-06-14 US disclosed
EP-1453514-A1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP disclosed
US-20030176441-A1 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2003-09-18 US disclosed
WO-2003045393-A1 PIPERAZINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF ASTHMA F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 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-20030176441-A1 Piperazine CCR-3 receptor antagonists CCR3, CCR1, CCRL2 KDM4E 2771/4885MAPT 4344/4885TSHR 858/4885

“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.