SCHEMBL6704469

SCHEMBL6704469

CNC1CCN(CCCCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.68
CCR3 P51677 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64

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 SCHEMBL6699777 0.98 SIGMAR1 (0.67) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL14389062 0.89 ACHE (0.68) SIGMAR1CCR3CYP1A2CYP3A4CYP2D6
SCHEMBL5272251 0.84 SLC6A2 (0.67) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL17285905 0.83 SIGMAR1 (0.97) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL6701707 0.82 SIGMAR1 (0.60) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL7723966 0.81 ACHE (0.61) SIGMAR1CCR3
SCHEMBL6699058 0.81 SIGMAR1 (0.63) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL6700770 0.80 SIGMAR1 (0.69) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL22878315 0.80 SIGMAR1 (0.69) SIGMAR1CCR3MEN1TP53CYP1A2
SCHEMBL10438853 0.80 SIGMAR1 (0.69) SIGMAR1CCR3MEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 SIGMAR1 450/4885CCR3 8/4885MEN1 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.