SCHEMBL3567009

SCHEMBL3567009

CCN(C(=O)Cc1ccccc1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.49
MAPT P10636 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
OPRD1 P41143 1/20 0.45

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
SCHEMBL3552546 0.94 CCR5 (0.46) CCR5MAPTCHRM1HTR2A
SCHEMBL3563710 0.91 CCR5 (0.51) CCR5HTR2A
SCHEMBL3560700 0.91 CCR5 (0.51) CCR5MAPT
SCHEMBL3556349 0.90 CCR5 (0.52) CCR5HTR2A
SCHEMBL3558081 0.89 HTR2A (0.49) CCR5MAPTHTR2A
SCHEMBL3561565 0.89 CCR5 (0.55) CCR5MAPT
SCHEMBL3556576 0.88 CCR5 (0.47) CCR5MAPT
SCHEMBL3565794 0.88 CCR5 (0.45) CCR5MAPT
SCHEMBL3556717 0.87 CCR5 (0.45) CCR5MAPTHTR2A
SCHEMBL3555246 0.87 CCR5 (0.46) CCR5MAPTHTR2A

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 799/4885MAPT 1151/4885CHRM1 61/4885

“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.