SCHEMBL5493436

SCHEMBL5493436

CCN(C(=O)OCc1ccccc1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 3/20 0.45
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM5 P08912 1/20 0.43
CCR5 P51681 3/20 0.42
FKBP1A P62942 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
Hydrochloric Acid SCHEMBL5493434 0.99 SIGMAR1 (0.50) SIGMAR1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5650503 0.84 SIGMAR1 (0.57) SIGMAR1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL23001584 0.82 SIGMAR1 (0.52) SIGMAR1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5418432 0.76 CTSB (0.58) MEN1KMT2ARAB9A
SCHEMBL6172740 0.76 SIGMAR1 (0.49) SIGMAR1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5650944 0.75 ALDH1A1 (0.48) ALDH1A1FKBP1AMEN1KMT2ASMN1; SMN2
SCHEMBL13661596 0.75 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH3NPC1RAB9A
SCHEMBL29837200 0.74 SIGMAR1 (0.45) SIGMAR1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL15479668 0.74 ALDH1A1 (0.58) SIGMAR1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL16665613 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192973-B2 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially CCR5) ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2004-12-30 US 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-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCR1 SIGMAR1 357/4885ALDH1A1 741/4885CHRM2 248/4885

“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.