SCHEMBL5452690

SCHEMBL5452690

Cn1nc(Cc2ccccc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
GPR119 Q8TDV5 3/20 0.48
STS P08842 1/20 0.48
CCR5 P51681 1/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.44
HPGDS O60760 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
SCHEMBL5451783 0.89 CCR5 (0.54) THRBSMN1; SMN2GAAGPR119STS
SCHEMBL5763660 0.80 HTT (0.58) THRBSMN1; SMN2GAAGPR119STS
SCHEMBL7500058 0.80 SMN1; SMN2 (0.54) THRBSMN1; SMN2GAAGPR119STS
SCHEMBL15890099 0.80 THRB (0.51) THRBSMN1; SMN2GAAGPR119KDM4E
SCHEMBL14514120 0.79 THRB (0.51) THRBSMN1; SMN2GAAGPR119STS
SCHEMBL5456416 0.79 CCR5 (0.51) CCR5LMNA
SCHEMBL18685698 0.79 KDM4E (0.52) THRBGPR119KDM4EMAPT
SCHEMBL7544743 0.78 CCR5 (0.54) CCR5
SCHEMBL17796475 0.78 THRB (0.51) THRBGPR119KDM4ETP53MAPT
SCHEMBL7496661 0.77 USP30 (0.54) THRBSMN1; SMN2GAAGPR119STS

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 THRB 648/4885SMN1; SMN2 3999/4885GAA 4785/4885

“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.