SCHEMBL6700772

SCHEMBL6700772

C[C@H](CCN1CCC(N)CC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL5857422 1.00 KCNA3 (0.53) KCNA3KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5857174 0.88 SLC6A2 (0.53) KDM4EALDH1A1
SCHEMBL14375364 0.86 SIGMAR1 (0.68) KCNA3
SCHEMBL5857950 0.85 KCNA3 (0.71) KCNA3
Hydrochloric Acid SCHEMBL4218305 0.84 KCNA3 (0.69) KCNA3
Hydrochloric Acid SCHEMBL8199416 0.84 KCNA3 (0.69) KCNA3
SCHEMBL13182865 0.84 ALDH1A1 (0.59) KDM4EALDH1A1
SCHEMBL8777949 0.80 ALDH1A1 (0.54) KDM4EALDH1A1
SCHEMBL7500758 0.80 CARM1 (0.62)
SCHEMBL6614512 0.78 TAAR1 (0.48)

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 2564/4885KDM4E 4728/4885ALDH1A1 690/4885

“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.