SCHEMBL3564522

SCHEMBL3564522

CCCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 2/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR2A P28223 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 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
SCHEMBL3562416 0.94 CCR3 (0.42) CCR3CA1CA2CA7LMNA
SCHEMBL3557281 0.94 NAMPT (0.47) CCR3CA1CA2CA7LMNA
SCHEMBL3556782 0.90 RXFP1 (0.43) LMNANAMPTCA12CA9MEN1
SCHEMBL3560035 0.89 NAMPT (0.44) CCR3CA1CA2CA7LMNA
SCHEMBL3561910 0.88 HTR2A (0.51) CCR3CA1CA2CA7LMNA
SCHEMBL3561058 0.88 CCR3 (0.47) CCR3CA1CA2CA7LMNA
SCHEMBL3561750 0.87 NAMPT (0.49) CA1CA2CA7KDM4EALDH1A1
SCHEMBL3562290 0.86 CA1 (0.49) CCR3CA1CA2CA7NAMPT
SCHEMBL3556788 0.86 NAMPT (0.44) CCR3CA1CA2CA7NAMPT
SCHEMBL3564148 0.85 NAMPT (0.49) CCR3CA1CA2CA7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 CCR3 2602/4885CA1 3602/4885CA2 1564/4885

“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.