SCHEMBL3560822

SCHEMBL3560822

CCc1cc(NC(=O)NCCN2CCC(N(CC)C(=O)C3(c4ccccc4)CC3)CC2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.42
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CCR5 P51681 3/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL3557526 0.92 CNR1 (0.42) UTS2RDRD2POLBMAPTTP53
SCHEMBL3555629 0.91 RXFP1 (0.42) UTS2RHTR2ACCR5POLBMEN1
SCHEMBL3560776 0.86 UTS2R (0.46) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL301764 0.85 MEN1 (0.45) HTR2ACCR5POLBMEN1KMT2A
SCHEMBL3552546 0.85 CCR5 (0.46) HTR2ACCR5POLBMAPT
SCHEMBL5547628 0.82 UTS2R (0.48) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3556717 0.80 CCR5 (0.45) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3556275 0.80 MAPK1 (0.47) DRD2POLBMEN1KMT2AMAPT
SCHEMBL5548246 0.79 UTS2R (0.47) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3556510 0.79 CCR5 (0.47) CCR5MAPTTP53

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
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
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 UTS2R 636/4885ADRA2A 30/4885DRD2 124/4885

“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.