SCHEMBL3563710

SCHEMBL3563710

CCN(C(=O)Cc1ccc(F)cc1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.51
CYP2D6 P10635 2/20 0.47
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
CCR3 P51677 2/20 0.44
HTR2A P28223 1/20 0.44

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 0.91 CCR5 (0.51) CCR5KCNH2TP53
SCHEMBL3567009 0.91 CCR5 (0.49) CCR5HTR2A
SCHEMBL3556349 0.90 CCR5 (0.52) CCR5CYP2D6KCNH2LMNACCR3
SCHEMBL3563837 0.90 CCR5 (0.54) CCR5KCNH2LMNACCR3HTR2A
SCHEMBL3556576 0.88 CCR5 (0.47) CCR5KCNH2
SCHEMBL3554476 0.88 LMNA (0.45) CCR5CYP2D6TP53LMNACCR3
SCHEMBL3558886 0.87 CCR5 (0.46) CCR5TP53
SCHEMBL3556510 0.86 CCR5 (0.47) CCR5KCNH2TP53
SCHEMBL3552546 0.86 CCR5 (0.46) CCR5HTR2A
SCHEMBL3558081 0.84 HTR2A (0.49) CCR5KCNH2LMNACCR3HTR2A

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 799/4885CYP2D6 493/4885KCNH2 318/4885

“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.