SCHEMBL4497501

SCHEMBL4497501

COC(=O)c1ccc2nc(NCC3(F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHEK2 O96017 4/20 0.45
BACE1 P56817 6/20 0.44
TBK1 Q9UHD2 5/20 0.44
BACE2 Q9Y5Z0 2/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.43
NPY5R Q15761 1/20 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
SCHEMBL4497494 0.93 PKM (0.44) CHEK2BACE1TBK1BACE2PKM
Hydrochloric Acid SCHEMBL4496250 0.81 ALDH1A1 (0.49) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL4488299 0.78 USP1 (0.45) NAMPT
SCHEMBL28615089 0.77 PKM (0.45) PKM
SCHEMBL4501997 0.76 MEN1 (0.42) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL4496248 0.75 CSNK1E (0.43) KDM4EALDH1A1LMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL4496242 0.74 CSNK1E (0.42) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL18985884 0.73 TBK1 (0.79) TBK1
SCHEMBL31721196 0.72 LCK (0.68) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29939711 0.72 PKM (0.52) ALDH1A1LMNAPKM

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 KDM4E 3617/4885ALDH1A1 486/4885LMNA 4010/4885

“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.