SCHEMBL3565794

SCHEMBL3565794

CCN(C(=O)Cc1ccccc1Cl)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
RAB9A P51151 1/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3555246 0.89 CCR5 (0.46) CCR5MAPTTP53ALPLALPI
SCHEMBL3567009 0.88 CCR5 (0.49) CCR5MAPT
SCHEMBL3556576 0.87 CCR5 (0.47) CCR5MAPTUBE2MDCUN1D1
SCHEMBL3560700 0.86 CCR5 (0.51) CCR5MAPTTP53
SCHEMBL3560290 0.83 OPRM1 (0.42) CCR5KMT2AMEN1POLBALDH1A1
SCHEMBL3563710 0.83 CCR5 (0.51) CCR5TP53
SCHEMBL3552546 0.83 CCR5 (0.46) CCR5MAPTPOLB
SCHEMBL3556717 0.83 CCR5 (0.45) CCR5MAPTTP53RAB9AUBE2M
SCHEMBL3556349 0.82 CCR5 (0.52) CCR5POLB
SCHEMBL3556510 0.81 CCR5 (0.47) CCR5MAPTTP53

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 799/4885PKM 492/4885MAPT 1151/4885

“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.