SCHEMBL3562346

SCHEMBL3562346

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD2 P14416 2/20 0.41
HTR1D P28221 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
CCR3 P51677 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
CACNA1B Q00975 1/20 0.39
CCR5 P51681 2/20 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
SCHEMBL3564763 0.92 NAMPT (0.47) NAMPTHTR2AHTR2CDRD2CCR3
SCHEMBL3561218 0.92 MAPT (0.45) NAMPTHTR2AHTR2CCCR3UBE2M
SCHEMBL3561109 0.92 CCR3 (0.44) NAMPTHTR2AHTR2CDRD2HTR7
SCHEMBL3564913 0.90 HTR2A (0.55) NAMPTHTR2AHTR2CDRD2HTR1D
SCHEMBL3556333 0.90 HTR2A (0.43) HTR2AHTR2CDRD2HTR1DHTR7
SCHEMBL3561750 0.90 NAMPT (0.49) NAMPTCA1CA2TP53ALDH1A1
SCHEMBL3561511 0.90 HTR2A (0.46) NAMPTHTR2ACCR3TP53MEN1
SCHEMBL3566426 0.90 CACNA1B (0.51) DRD2CCR3CA1CA2UBE2M
SCHEMBL3557217 0.87 NAMPT (0.44) NAMPTHTR7CA1CA2UBE2M
SCHEMBL3556788 0.87 NAMPT (0.44) NAMPTCCR3CA1CA2TP53

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 245/4885HTR2A 119/4885HTR2C 92/4885

“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.