SCHEMBL4497494

SCHEMBL4497494

COC(=O)c1ccc2[nH]c(NCC3(F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
USP1 O94782 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
BACE1 P56817 6/20 0.39
TBK1 Q9UHD2 3/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
NAMPT P43490 3/20 0.39
BCHE P06276 1/20 0.38
CHEK2 O96017 2/20 0.38
CSNK1E P49674 1/20 0.38

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
SCHEMBL4497501 0.93 KDM4E (0.45) PKMBACE1TBK1BACE2NAMPT
SCHEMBL4496248 0.82 CSNK1E (0.43) PKMCSNK1E
Hydrochloric Acid SCHEMBL4496242 0.81 CSNK1E (0.42) PKMCSNK1E
SCHEMBL4488299 0.78 USP1 (0.45) USP1NAMPTBCHE
SCHEMBL28615089 0.77 PKM (0.45) PKMJAK2JAK1
SCHEMBL12687340 0.76 NAMPT (0.47) PKMNAMPT
SCHEMBL17092679 0.75 HTR2B (0.48) CHEK2
SCHEMBL4496634 0.75 MAPT (0.47) PKMBACE1TBK1CHEK2
Hydrochloric Acid SCHEMBL4496250 0.74 ALDH1A1 (0.49) CSNK1E
SCHEMBL6791011 0.72 LCK (0.56) PKMBCHECSNK1E

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 PKM 4690/4885USP1 979/4885JAK2 510/4885

“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.