SCHEMBL5453967

SCHEMBL5453967

N#Cc1ccc2c(c1)ncn2C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.51
GABRD O14764 4/20 0.51
GABRA1 P14867 4/20 0.51
GABRB1 P18505 4/20 0.51
GABRG2 P18507 4/20 0.51
GABRB3 P28472 4/20 0.51
GABRA5 P31644 4/20 0.51
GABRA3 P34903 4/20 0.51
GABRA2 P47869 4/20 0.51
GABRB2 P47870 4/20 0.51
GABRA4 P48169 4/20 0.51
GABRE P78334 4/20 0.51
GABRA6 Q16445 4/20 0.51
GABRG1 Q8N1C3 4/20 0.51
GABRG3 Q99928 4/20 0.51
GABRQ Q9UN88 4/20 0.51
PRKCI P41743 1/20 0.44
KCNH2 Q12809 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL22862484 0.91 GAA (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17675678 0.84 JAK2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL463343 0.81 IDO1 (0.50) PRKCIKCNH2JAK2IDO1CYP11B2
SCHEMBL1865660 0.79 DDB1 (0.53) PRKCIJAK2JAK1HSD17B10GAA
SCHEMBL4671267 0.79 IRAK4 (0.51) PRKCIJAK2JAK1HSD17B10GAA
SCHEMBL4752964 0.79 CCR3 (0.51) PRKCIJAK2JAK1HSD17B10GAA
SCHEMBL30610095 0.79 IRAK4 (0.51) PRKCIJAK2JAK1HSD17B10GAA
Piperazine SCHEMBL28324587 0.78 IRAK4 (0.50) PRKCIJAK2JAK1IDO1HSD17B10
SCHEMBL3290233 0.77 DRD2 (0.57) PRKCIJAK2JAK1SLC6A4ALDH1A1
SCHEMBL2850424 0.76 LMNA (0.53) PRKCIJAK2JAK1IDO1HSD17B10

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 GABRP 657/4885GABRD 671/4885GABRA1 405/4885

“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.