SCHEMBL3557589

SCHEMBL3557589

Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
UTS2R Q9UKP6 2/20 0.36
DRD2 P14416 2/20 0.35
CACNA1H O95180 2/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2A P08913 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL3935356 0.92 MAPT (0.39) CNR1MAPTTP53KDM4EUTS2R
SCHEMBL3932204 0.91 CNR1 (0.37) CNR1MAPTTP53KDM4EUTS2R
SCHEMBL302022 0.86 CNR1 (0.40) CNR1MAPTTP53KDM4EUTS2R
SCHEMBL3560493 0.85 MAPT (0.43) CNR1MAPTTP53UTS2RDRD2
SCHEMBL3564369 0.83 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2CA1
SCHEMBL3558382 0.83 MEN1 (0.45) MAPTTP53UTS2RDRD2HTR1A
SCHEMBL301931 0.83 CACNA1H (0.40) CNR1MAPTTP53DRD2CACNA1H
SCHEMBL3556001 0.82 HTR7 (0.41) CNR1MAPTTP53UTS2RCA1
SCHEMBL3561832 0.82 KMT2A (0.42) MAPTTP53UTS2RDRD2ADRA2A
SCHEMBL301932 0.82 CNR1 (0.37) CNR1MAPTTP53UTS2RDRD2

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 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.