SCHEMBL3555246

SCHEMBL3555246

CCN(C(=O)Cc1ccccc1OC)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
TP53 P04637 2/20 0.45
ALPL P05186 2/20 0.42
ALPI P09923 2/20 0.42
ALPG P10696 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 2/20 0.41
HTR3A P46098 1/20 0.41
HTR2A P28223 1/20 0.40
CCR3 P51677 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3565794 0.89 CCR5 (0.45) CCR5TP53ALPLALPIALPG
SCHEMBL3558886 0.87 CCR5 (0.46) CCR5TP53SMN1; SMN2KMT2AMEN1
SCHEMBL3567009 0.87 CCR5 (0.49) CCR5HTR2AMAPT
SCHEMBL3556349 0.85 CCR5 (0.52) CCR5SMN1; SMN2HTR2ACCR3LMNA
SCHEMBL3558081 0.85 HTR2A (0.49) CCR5SIGMAR1ALDH1A1HTR2ACCR3
SCHEMBL3563710 0.83 CCR5 (0.51) CCR5TP53HTR2ACCR3LMNA
SCHEMBL3560290 0.82 OPRM1 (0.42) CCR5SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3555691 0.82 NPSR1 (0.44) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3560700 0.82 CCR5 (0.51) CCR5TP53SMN1; SMN2MAPT
SCHEMBL3552546 0.81 CCR5 (0.46) CCR5HTR2AMAPT

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 CCR5 799/4885TP53 4821/4885ALPL 4229/4885

“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.