SCHEMBL3565446

SCHEMBL3565446

Cc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccccc3C)CC2)cc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR2C P28335 4/20 0.53
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.43
UTS2R Q9UKP6 2/20 0.42
POLB P06746 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 4/20 0.40
CCR3 P51677 1/20 0.40
NPSR1 Q6W5P4 1/20 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
SCHEMBL3562457 0.91 HTR2A (0.53) HTR2AHTR2CMEN1KMT2AUTS2R
SCHEMBL3552561 0.91 KMT2A (0.42) HTR2AHTR2CMEN1KMT2AUTS2R
SCHEMBL3558382 0.91 MEN1 (0.45) HTR2AHTR2CMEN1KMT2ARAB9A
SCHEMBL3556658 0.90 KMT2A (0.44) HTR2AHTR2CMEN1KMT2ARAB9A
SCHEMBL3565549 0.89 HTR2A (0.49) HTR2AHTR2CMEN1KMT2AUTS2R
SCHEMBL3563376 0.85 HTR2A (0.51) HTR2AHTR2CMEN1KMT2APOLB
SCHEMBL3566781 0.85 DPP4 (0.41) HTR2ADRD2CCR3
SCHEMBL3557404 0.85 CCR3 (0.42) HTR2AMEN1KMT2ARAB9AUTS2R
SCHEMBL3564913 0.85 HTR2A (0.55) HTR2AHTR2CUTS2RPOLBDRD2
SCHEMBL3937222 0.84 DRD2 (0.45) HTR2AHTR2CMEN1KMT2AUTS2R

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 4 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
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP 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 HTR2A 119/4885HTR2C 92/4885MEN1 1845/4885

“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.