SCHEMBL3671808

SCHEMBL3671808

Cn1nnnc1CC(=O)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.53
SIGMAR1 Q99720 1/20 0.48
KCNA3 P22001 1/20 0.48
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL3643025 0.81 CCR5 (0.53) CCR5SIGMAR1KCNA3OPRM1OPRL1
SCHEMBL7243378 0.81 SIGMAR1 (0.72) CCR5SIGMAR1KCNA3
SCHEMBL13929202 0.79 CCR5 (0.50) CCR5SIGMAR1KCNA3
SCHEMBL13929351 0.78 L3MBTL1 (0.69) CCR5SIGMAR1
SCHEMBL13929211 0.78 SIGMAR1 (0.69) CCR5SIGMAR1KCNA3
SCHEMBL13929209 0.78 CCR5 (0.56) CCR5SIGMAR1KCNA3
Benzene SCHEMBL8692613 0.78 CCR5 (0.64) CCR5KCNA3OPRM1OPRL1
SCHEMBL7247254 0.78 KCNA3 (0.64) CCR5SIGMAR1KCNA3OPRM1OPRL1
SCHEMBL13929339 0.78 CCR5 (0.60) CCR5SIGMAR1
SCHEMBL13929217 0.78 CCR5 (0.63) CCR5KCNA3OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173715-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY Euroscreen S.A. (BE) 2010-04-14 EP disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
WO-2009010478-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY EUROSCREEN S.A. (BE) 2009-01-22 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-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 CCR5 2/4885SIGMAR1 129/4885KCNA3 1167/4885

“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.