SCHEMBL5456416

SCHEMBL5456416

CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.51
PRCP P42785 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KCNH2 Q12809 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL5451783 0.90 CCR5 (0.54) CCR5KCNH2LMNA
SCHEMBL7544743 0.89 CCR5 (0.54) CCR5KCNH2
SCHEMBL27643633 0.85 CCR5 (0.49) CCR5PRCPKCNH2
SCHEMBL7606781 0.84 KDM4E (0.49) CNR1ALDH1A1LMNA
SCHEMBL7493987 0.82 MAPT (0.49) CCR5KCNH2ALDH1A1
SCHEMBL5453963 0.80 KDM4E (0.49) CNR1ALDH1A1LMNA
SCHEMBL5452690 0.79 THRB (0.51) CCR5LMNA
SCHEMBL7603673 0.77 JAK2 (0.48) CCR5KCNH2
SCHEMBL7608985 0.76 CCR5 (0.62) CCR5KCNH2
SCHEMBL7608991 0.76 CCR5 (0.62) CCR5KCNH2

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-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 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-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 CCR5 1/4885PRCP 3750/4885CNR1 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.