SCHEMBL3558956

SCHEMBL3558956

Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccc(F)cc3F)CC2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CCR3 P51677 8/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CACNA1B Q00975 1/20 0.40
CA7 P43166 1/20 0.38
HTR2A P28223 2/20 0.38
UTS2R Q9UKP6 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
SCHEMBL3566781 0.92 DPP4 (0.41) LMNAKDM4EALDH1A1CCR3CA1
SCHEMBL3563101 0.91 LMNA (0.41) LMNAKDM4EALDH1A1CCR3CA1
SCHEMBL3561832 0.91 KMT2A (0.42) CCR3HTR2AUTS2R
SCHEMBL3561058 0.89 CCR3 (0.47) LMNAKDM4EALDH1A1CCR3CA1
SCHEMBL3554219 0.86 CCR3 (0.45) LMNACCR3CA1CA2CACNA1B
SCHEMBL3563156 0.86 CCR3 (0.42) CCR3HTR2AUTS2R
SCHEMBL3564906 0.85 CCR3 (0.41) CCR3CA1CA2CACNA1BCA7
SCHEMBL3558382 0.85 MEN1 (0.45) CCR3CA1CA2CA7HTR2A
SCHEMBL3555611 0.84 POLB (0.47) CCR3CA1CA2CA7HTR2A
SCHEMBL3560493 0.84 MAPT (0.43) CA1CA2HTR2AUTS2R

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 LMNA 3456/4885KDM4E 1861/4885ALDH1A1 2078/4885

“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.