SCHEMBL5854102

SCHEMBL5854102

COc1cc(NC(=O)NC(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)(C)C)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.66
ALPL P05186 2/20 0.50
ALPI P09923 2/20 0.50
ALPG P10696 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.42
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5854109 1.00 CCR3 (0.66) CCR3ALPLALPIALPGTP53
SCHEMBL1223356 0.90 CCR3 (0.79) CCR3ALPLALPIALPGTP53
SCHEMBL1223352 0.90 CCR3 (0.79) CCR3ALPLALPIALPGTP53
Trifluoroacetic Acid SCHEMBL6845302 0.84 CCR3 (0.48) CCR3TP53MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6845301 0.84 CCR3 (0.48) CCR3TP53MEN1KMT2ASMN1; SMN2
Iodide SCHEMBL7868477 0.83 CCR3 (0.74) CCR3ALPLALPIALPGTP53
Trifluoroacetic Acid SCHEMBL5743385 0.83 CCR3 (0.53) CCR3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5743388 0.83 CCR3 (0.53) CCR3MEN1KMT2A
SCHEMBL5856569 0.82 CCR3 (0.53) CCR3MEN1KMT2A
SCHEMBL5856575 0.82 CCR3 (0.53) CCR3MEN1KMT2A

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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885ALPL 4885/4885ALPI 4236/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CCR3 1/4885ALPL 4885/4885ALPI 4236/4885

“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.