SCHEMBL3556717

SCHEMBL3556717

CCN(C(=O)c1ccccc1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
OPRM1 P35372 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL3554476 0.91 LMNA (0.45) CCR5TP53HTR2AUBE2MDCUN1D1
SCHEMBL3556044 0.89 POLB (0.48) CCR5POLBMAPTTP53HTR2A
SCHEMBL3567009 0.87 CCR5 (0.49) CCR5MAPTHTR2A
SCHEMBL3555691 0.86 NPSR1 (0.44) MEN1KMT2AMAPTNPSR1TP53
SCHEMBL3564763 0.83 NAMPT (0.47) CCR5POLBMEN1KMT2AMAPT
SCHEMBL3565794 0.83 CCR5 (0.45) CCR5POLBMEN1KMT2AMAPT
SCHEMBL3552546 0.82 CCR5 (0.46) CCR5POLBMAPTHTR2A
SCHEMBL3555246 0.81 CCR5 (0.46) CCR5MEN1KMT2AMAPTTP53
SCHEMBL3560290 0.81 OPRM1 (0.42) CCR5POLBMEN1KMT2AOPRM1
SCHEMBL3560700 0.80 CCR5 (0.51) 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 2 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

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 CCR5 799/4885POLB 4709/4885MEN1 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.