SCHEMBL3566426

SCHEMBL3566426

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.51
CACNA1C Q13936 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
CCR3 P51677 1/20 0.44
DCUN1D1 Q96GG9 10/20 0.44
UBE2M P61081 9/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 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
SCHEMBL3568131 0.91 CACNA1B (0.49) CACNA1BMAPTHTTSMN1; SMN2NPSR1
SCHEMBL3562563 0.91 CACNA1B (0.52) CACNA1BCCR3
SCHEMBL3562290 0.91 CA1 (0.49) CACNA1BMAPTHTTSMN1; SMN2NPSR1
SCHEMBL3561109 0.90 CCR3 (0.44) CACNA1BLMNACCR3DCUN1D1UBE2M
SCHEMBL3562346 0.90 NAMPT (0.43) CACNA1BCCR3DCUN1D1UBE2MMEN1
SCHEMBL3564763 0.89 NAMPT (0.47) MAPTNPSR1CCR3MEN1KMT2A
SCHEMBL3561218 0.89 MAPT (0.45) MAPTLMNACCR3DCUN1D1UBE2M
SCHEMBL3561511 0.87 HTR2A (0.46) LMNACCR3MEN1KMT2A
SCHEMBL3556788 0.86 NAMPT (0.44) CCR3CA1CA2CA7
SCHEMBL3557281 0.86 NAMPT (0.47) LMNACCR3MEN1KMT2ACA1

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 CACNA1B 191/4885CACNA1C 460/4885MAPT 1151/4885

“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.