SCHEMBL4958716

SCHEMBL4958716

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
CCR3 P51677 6/20 0.51
CCR1 P32246 4/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42

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
SCHEMBL5740997 1.00 KMT2A (0.56) KMT2AMEN1CCR3CCR1CTSL
SCHEMBL4958711 1.00 KMT2A (0.56) KMT2AMEN1CCR3CCR1CTSL
SCHEMBL5743129 0.84 HRH2 (0.49) KMT2AMEN1CCR3CCR1CTSL
SCHEMBL5743133 0.84 HRH2 (0.49) KMT2AMEN1CCR3CCR1CTSL
SCHEMBL2452509 0.80 CCR3 (0.52) CCR3
SCHEMBL5783456 0.79 CCR3 (0.46) CCR3
SCHEMBL7868810 0.79 CCR3 (0.46) CCR3
SCHEMBL4499855 0.79 CCR1 (0.67) KMT2AMEN1CCR1HRH2HRH1
SCHEMBL4499860 0.79 CCR1 (0.67) KMT2AMEN1CCR1HRH2HRH1
SCHEMBL19981979 0.78 CTSL (0.55) KMT2AMEN1CCR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 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-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 US disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 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

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-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 KMT2A 2923/4885MEN1 3264/4885CCR3 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.