SCHEMBL3564906

SCHEMBL3564906

Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
TP53 P04637 1/20 0.39
NAMPT P43490 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CA7 P43166 3/20 0.39
NR1I2 O75469 1/20 0.38
CACNA1B Q00975 1/20 0.38
CNR1 P21554 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3568175 0.91 L3MBTL1 (0.43) CCR3CA1CA2TP53NAMPT
SCHEMBL3561058 0.91 CCR3 (0.47) CCR3CA1CA2CA7MEN1
SCHEMBL3556788 0.91 NAMPT (0.44) CCR3CA1CA2TP53NAMPT
SCHEMBL3564369 0.90 CNR1 (0.48) CA1CA2TP53CNR1
SCHEMBL3562248 0.89 CA2 (0.48) CCR3CA1CA2TP53CA7
SCHEMBL3554219 0.89 CCR3 (0.45) CCR3CA1CA2NR1I2CACNA1B
SCHEMBL3556001 0.88 HTR7 (0.41) CA1CA2TP53CA7CNR1
SCHEMBL3555505 0.88 CA1 (0.50) CCR3CA1CA2CA7NR1I2
SCHEMBL3565154 0.88 UTS2R (0.46) CCR3CA1CA2TP53CA7
SCHEMBL3562875 0.87 MAPT (0.46) CCR3CA1CA2TP53CNR1

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 6 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
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US 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.