SCHEMBL3556576

SCHEMBL3556576

CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.47
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
SMYD2 Q9NRG4 3/20 0.41
MAPT P10636 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3560700 0.92 CCR5 (0.51) CCR5MAPTKCNH2
SCHEMBL3560440 0.90 CCR5 (0.56) CCR5MAPTKCNH2
SCHEMBL3563710 0.88 CCR5 (0.51) CCR5KCNH2
SCHEMBL3567009 0.88 CCR5 (0.49) CCR5MAPT
SCHEMBL3558886 0.87 CCR5 (0.46) CCR5
SCHEMBL3556349 0.87 CCR5 (0.52) CCR5KCNH2
SCHEMBL3565794 0.87 CCR5 (0.45) CCR5UBE2MDCUN1D1MAPT
SCHEMBL3556510 0.86 CCR5 (0.47) CCR5MAPTKCNH2
SCHEMBL3558081 0.85 HTR2A (0.49) CCR5MAPTKCNH2
SCHEMBL3566766 0.83 CNR1 (0.48) CCR5MAPT

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 799/4885UBE2M 3523/4885DCUN1D1 4226/4885

“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.