SCHEMBL4025012

SCHEMBL4025012

CCN(C(=O)Cc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.81
CHRM1 P11229 1/20 0.78
HTR2A P28223 1/20 0.78

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
SCHEMBL14032000 0.94 CCR5 (0.84) CCR5CHRM1HTR2A
SCHEMBL12207016 0.90 CCR5 (1.00) CCR5
SCHEMBL6339869 0.89 CCR5 (1.00) CCR5
SCHEMBL6336926 0.89 CCR5 (1.00) CCR5
SCHEMBL6705208 0.87 CCR5 (1.00) CCR5CHRM1HTR2A
Hydrochloric Acid SCHEMBL6702225 0.87 CCR5 (0.98) CCR5CHRM1HTR2A
SCHEMBL6336797 0.86 CCR5 (1.00) CCR5
SCHEMBL6703811 0.85 CCR5 (1.00) CCR5
SCHEMBL6337380 0.85 CCR5 (1.00) CCR5
SCHEMBL6700385 0.85 CCR5 (0.91) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547789-B2 Process for the preparation of N-(4-piperidinyl)-N-ethyl-phenylacetamides from N-Boc-4-oxopiperidine ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-20080214824-A1 Process for the Preparation of N-(4-Piperidinyl)-N-Ethyl-Phenylacetamides from N-Boc-4-Oxopiperidine ASTRAZENECA AB (SE) 2008-09-04 US disclosed
EP-1828128-A1 PROCESS FOR THE PREPARATION OF N-(4-PIPERIDINYL)-N-ETHYL-PHENYLACETAMIDES FROM N-BOC-4-OXOPIPERIDINE AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006064221-A1 PROCESS FOR THE PREPARATION OF N- (4-PIPERIDINYL) -N-ETHYL-PHENYLACETAMIDES FROM N-BOC-4-OXOPIPERIDINE ASTRAZENECA AB (SE) 2006-06-22 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-20080214824-A1 Process for the Preparation of N-(4-Piperidinyl)-N-Ethyl-Phenylacetamides from N-Boc-4-Oxopiperidine NISCH, NPPA, AZI2 CCR5 1084/4885CHRM1 278/4885HTR2A 36/4885

“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.