SCHEMBL4597552

SCHEMBL4597552

CC(C)CC1CN(C2CCCC2)C(=O)N1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 5/20 0.32
CCR5 P51681 8/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL5576309 1.00 LMNA (0.36) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL5572595 0.88 CCR5 (0.35) CCR5TP53
SCHEMBL5572600 0.88 CCR5 (0.35) CCR5TP53
SCHEMBL4597948 0.76
SCHEMBL5576799 0.76 CCR5 (0.34) LMNAGAAOPRM1OPRL1CCR5
SCHEMBL5576794 0.76 CCR5 (0.34) LMNAGAAOPRM1OPRL1CCR5
SCHEMBL4597318 0.74 FFAR3 (0.30)
SCHEMBL4597312 0.74 FFAR3 (0.30)
SCHEMBL4597105 0.69 CCR5 (0.51) CCR5
SCHEMBL4415837 0.67 CCR5 (0.60) CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 LMNA 4700/4885CYP3A4 1938/4885GAA 4340/4885

“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.