SCHEMBL3557217

SCHEMBL3557217

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
HTR7 P34969 1/20 0.41
CNR1 P21554 2/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 3/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
RORC P51449 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
SCHEMBL3565680 0.91 CNR1 (0.48) NAMPTCNR1CA1CA2MAPT
SCHEMBL3562364 0.91 L3MBTL1 (0.43) NAMPTHTR7CNR1CA1CA2
SCHEMBL3556001 0.91 HTR7 (0.41) HTR7CNR1CA1CA2MAPT
SCHEMBL3561750 0.90 NAMPT (0.49) NAMPTCA1CA2KDM4ETP53
SCHEMBL3561218 0.89 MAPT (0.45) NAMPTCNR1MAPTTP53UBE2M
SCHEMBL3556788 0.88 NAMPT (0.44) NAMPTCNR1CA1CA2TP53
SCHEMBL3557281 0.88 NAMPT (0.47) NAMPTCA1CA2KDM4E
SCHEMBL3564148 0.88 NAMPT (0.49) NAMPTCA1CA2MAPTTP53
SCHEMBL3564763 0.88 NAMPT (0.47) NAMPTCA1CA2MAPTTP53
SCHEMBL3562346 0.87 NAMPT (0.43) NAMPTHTR7CA1CA2KDM4E

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 NAMPT 245/4885HTR7 107/4885CNR1 16/4885

“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.