SCHEMBL6705454

SCHEMBL6705454

c1ccc(C(CCN2CCC(NC3CC3)CC2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.67
CYP2D6 P10635 2/20 0.58
SIGMAR1 Q99720 2/20 0.55
CCR5 P51681 10/20 0.52
OPRL1 P41146 4/20 0.50
OPRM1 P35372 2/20 0.50
MTR Q99707 1/20 0.50

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
SCHEMBL3639939 0.86 KCNA3 (0.65) KCNA3CYP2D6SIGMAR1CCR5OPRL1
Hydrochloric Acid SCHEMBL6698846 0.84 KCNA3 (0.63) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL6704364 0.83 KCNA3 (0.61) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL7247254 0.82 KCNA3 (0.64) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL7239884 0.82 CARM1 (0.64) KCNA3CYP2D6CCR5
SCHEMBL6700399 0.81 KCNA3 (0.58) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL6702854 0.81 KCNA3 (0.62) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL5857950 0.80 KCNA3 (0.71) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL10039407 0.80 KCNA3 (1.00) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL6701415 0.80 KCNA3 (0.57) KCNA3CYP2D6SIGMAR1CCR5OPRL1

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 KCNA3 2564/4885CYP2D6 1355/4885SIGMAR1 450/4885

“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.