SCHEMBL5743129

SCHEMBL5743129

CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
FAAH O00519 1/20 0.47
CCR1 P32246 1/20 0.46
CCR3 P51677 2/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GPR183 P32249 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL5743133 1.00 HRH2 (0.49) HRH2HRH1KMT2AMEN1FAAH
SCHEMBL5740997 0.84 KMT2A (0.56) HRH2HRH1KMT2AMEN1CCR1
SCHEMBL4958711 0.84 KMT2A (0.56) HRH2HRH1KMT2AMEN1CCR1
SCHEMBL4958716 0.84 KMT2A (0.56) HRH2HRH1KMT2AMEN1CCR1
SCHEMBL4499855 0.82 CCR1 (0.67) HRH2HRH1KMT2AMEN1CCR1
SCHEMBL4499860 0.82 CCR1 (0.67) HRH2HRH1KMT2AMEN1CCR1
SCHEMBL5030322 0.79 KDM1A (0.57) KMT2AMEN1FAAHKDM4EALDH1A1
SCHEMBL19851181 0.79 ALDH1A1 (0.52) HRH2HRH1KMT2AMEN1ALDH1A1
SCHEMBL6845413 0.78 POLB (0.48) KMT2AMEN1FAAHCCR3KDM4E
SCHEMBL5787121 0.78 POLB (0.48) KMT2AMEN1FAAHCCR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680408-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
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
WO-2005040129-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists ROCHE PALO ALTO LLC 2005-04-28 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
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 US 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 HRH2 92/4885HRH1 124/4885KMT2A 2923/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 HRH2 92/4885HRH1 124/4885KMT2A 2923/4885
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists CCR9, CCR3, CCR1 HRH2 112/4885HRH1 250/4885KMT2A 3252/4885

“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.