SCHEMBL5744159

SCHEMBL5744159

COc1cccc(NC(=O)NC2CCCCC2N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
FAAH O00519 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCHR1 Q99705 2/20 0.49
USP2 O75604 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.48
ACKR3 P25106 1/20 0.47

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 0.85 MCHR1 (0.65) CCR3MEN1KMT2ASIGMAR1NPC1
SCHEMBL6311386 0.79 CCR3 (0.63) CCR3HTT
SCHEMBL6311383 0.79 CCR3 (0.63) CCR3HTT
SCHEMBL3928596 0.79 CCR3 (0.58) CCR3MEN1KMT2AFAAHNPC1
SCHEMBL6840044 0.79 CCR3 (0.58) CCR3MEN1KMT2AFAAHNPC1
SCHEMBL5580108 0.79 CCR3 (0.58) CCR3MEN1KMT2AFAAHNPC1
SCHEMBL5741336 0.77 CCR3 (0.56) CCR3MEN1KMT2AFAAHNPC1
SCHEMBL5741334 0.77 CCR3 (0.56) CCR3MEN1KMT2AFAAHNPC1
SCHEMBL5563345 0.77 KDM4E (0.57) CCR3MEN1KMT2AFAAHNPC1
SCHEMBL4033889 0.76 MCHR1 (0.58) CCR3MEN1KMT2AFAAHSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 US disclosed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-6906073-B2 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-06-14 US disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 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-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
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-20030176441-A1 Piperazine CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2003-09-18 US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 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
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP 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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CCR3 1/4885MEN1 3264/4885KMT2A 2923/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CCR3 1/4885MEN1 3264/4885KMT2A 2923/4885
US-20030176441-A1 Piperazine CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CCR3 1/4885MEN1 4531/4885KMT2A 2706/4885

“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.