SCHEMBL3558081

SCHEMBL3558081

CCN(C(=O)Cc1cccc(OC)c1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
CCR3 P51677 4/20 0.49
CCR5 P51681 5/20 0.48
THRB P10828 1/20 0.47
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.42
NPY1R P25929 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3556349 0.91 CCR5 (0.52) HTR2ACCR3CCR5KCNH2LMNA
SCHEMBL3567009 0.89 CCR5 (0.49) HTR2ACCR5MAPT
SCHEMBL3558886 0.88 CCR5 (0.46) CCR5ALDH1A1RXFP1
SCHEMBL3555246 0.85 CCR5 (0.46) HTR2ACCR3CCR5SIGMAR1ALDH1A1
SCHEMBL3556576 0.85 CCR5 (0.47) CCR5KCNH2MAPT
SCHEMBL3563710 0.84 CCR5 (0.51) HTR2ACCR3CCR5KCNH2LMNA
SCHEMBL3560700 0.84 CCR5 (0.51) CCR5KCNH2MAPT
SCHEMBL3552546 0.84 CCR5 (0.46) HTR2ACCR5MAPT
SCHEMBL3563793 0.83 RXFP1 (0.48) HTR2ACCR3CCR5SIGMAR1MAPT
SCHEMBL3556044 0.83 POLB (0.48) HTR2ACCR5MAPTLMNARXFP1

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 HTR2A 119/4885CCR3 2602/4885CCR5 799/4885

“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.