SCHEMBL5703482

SCHEMBL5703482

COc1ccc(C#N)cc1C=CC(=O)NCCN1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 7/20 0.51
▸ ACHE P22303 8/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ BCHE P06276 7/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTR4 Q13639 1/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 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
SCHEMBL5703480 1.00 CCR3 (0.51) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5407682 0.92 CCR3 (0.52) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5407692 0.92 CCR3 (0.52) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5400200 0.84 CCR3 (0.42) CCR3ACHEMAOAMAOBBCHE
SCHEMBL6568321 0.84 CCR3 (0.40) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5402630 0.84 CCR3 (0.42) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5409708 0.79 KDM4E (0.51) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5409697 0.79 KDM4E (0.51) CCR3ACHEMAOAMAOBBCHE
SCHEMBL5404630 0.77 CCR3 (0.44) CCR3HTR2A
SCHEMBL6567109 0.77 CCR3 (0.44) CCR3HTR2A

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
EP-1401814-B1 DERIVATIVES OF 3-PHENYL-N-(2- (4-BENZYL) PIPERIDIN-1-YL)-ETHYL)-ACRYLAMID WITH CCR-3 RECEPTOR ANTAGONISTIC ACTIVITY FOR USE IN THE TREATMENT OF INFLAMMATIONS AND ALLERGIC CONDITIONS NOVARTIS AG (CH) 2006-09-06 — — EP claimed
US-20040180926-A1 Derivatives of 3-phenyl-n-(2-(4-benzyl)-piperidin-1-yl)-ethyl)-acrylamid with ccr-3-receptor antagonistic activity for use in the treatment of inflammations and allergic conditions NOVARTIS AG (CH) 2004-09-16 — — US claimed
EP-1401814-B1 DERIVATIVES OF 3-PHENYL-N-(2- (4-BENZYL) PIPERIDIN-1-YL)-ETHYL)-ACRYLAMID WITH CCR-3 RECEPTOR ANTAGONISTIC ACTIVITY FOR USE IN THE TREATMENT OF INFLAMMATIONS AND ALLERGIC CONDITIONS NOVARTIS AG (CH) 2006-09-06 — — 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-20040180926-A1 Derivatives of 3-phenyl-n-(2-(4-benzyl)-piperidin-1-yl)-ethyl)-acrylamid with ccr-3-receptor antagonistic activity for use in the treatment of inflammations and allergic conditions CCR1, CCR3, CCR4 CCR3 2/4885ACHE 3679/4885MAOA 4088/4885

“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.

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