SCHEMBL4501997

SCHEMBL4501997

COC(=O)c1ccc2nc(NCC3(F)CCN(Cc4cc(Cl)cc(Cl)c4O)CC3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
MLLT1 Q03111 3/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 1/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
SSTR5 P35346 1/20 0.37
KDR P35968 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
BRAF P15056 1/20 0.35

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
SCHEMBL4501990 0.94 MEN1 (0.42) MEN1GFERKMT2AMLLT1ALDH1A1
SCHEMBL4496934 0.78 MEN1 (0.46) MEN1GFERKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL4496250 0.77 ALDH1A1 (0.49) MLLT1ALDH1A1LMNAHTTKDM4E
SCHEMBL4497501 0.76 KDM4E (0.45) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL4502209 0.71 MEN1 (0.42) MEN1GFERKMT2AALDH1A1LMNA
SCHEMBL4496248 0.70 CSNK1E (0.43) MEN1KMT2AALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL4496242 0.70 CSNK1E (0.42) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4497494 0.69 PKM (0.44)
SCHEMBL4504259 0.68 RIPK1 (0.47) MEN1GFERKMT2AALDH1A1LMNA
SCHEMBL4490296 0.67 HDAC6 (0.46) ALDH1A1LMNAHTTKDRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
EP-1505067-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-09 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 (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-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 MEN1 4549/4885GFER 4149/4885KMT2A 4002/4885

“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.