SCHEMBL302022

SCHEMBL302022

Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccc(Cl)s3)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
UTS2R Q9UKP6 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3936618 0.92 CNR1 (0.40) CNR1MAPTTP53UTS2RSMN1; SMN2
SCHEMBL3941457 0.91 CNR1 (0.39) CNR1MAPTTP53UTS2RSMN1; SMN2
SCHEMBL3557589 0.86 CNR1 (0.38) CNR1MAPTTP53UTS2RSMN1; SMN2
SCHEMBL3560112 0.85 UTS2R (0.41) CNR1MAPTUTS2RSMN1; SMN2ADRA2A
SCHEMBL3564369 0.85 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2CA1
SCHEMBL3560493 0.84 MAPT (0.43) CNR1MAPTTP53UTS2RADRA2A
SCHEMBL3556001 0.84 HTR7 (0.41) CNR1MAPTTP53UTS2RCA1
SCHEMBL3562248 0.83 CA2 (0.48) TP53UTS2RSMN1; SMN2ADRA2ADRD2
SCHEMBL3565154 0.83 UTS2R (0.46) MAPTTP53UTS2RADRA2ADRD2
SCHEMBL3562875 0.83 MAPT (0.46) CNR1MAPTTP53UTS2RSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851328-B2 2012-01-11 JP claimed
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
JP-2007506692-A 2007-03-22 JP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP claimed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO 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 CNR1 16/4885MAPT 1151/4885TP53 4821/4885

“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.