SCHEMBL6298720

SCHEMBL6298720

CC(NN1CCC(N(C)C(=O)Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.67
KCNH2 Q12809 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 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
SCHEMBL6755242 0.88 CCR5 (0.61) CCR5KCNH2
SCHEMBL6705234 0.78 CCR5 (0.85) CCR5
SCHEMBL6703964 0.78 KCNH2 (0.79) CCR5KCNH2
SCHEMBL6704348 0.78 CCR5 (0.83) CCR5
SCHEMBL6701709 0.75 CCR5 (0.69) CCR5KCNH2
SCHEMBL6703484 0.75 CCR5 (0.79) CCR5
Hydrochloric Acid SCHEMBL6704564 0.75 CCR5 (0.77) CCR5
SCHEMBL6298721 0.74 CCR5 (0.60) CCR5KCNH2
SCHEMBL6702100 0.74 CCR5 (0.71) CCR5KCNH2
SCHEMBL6298538 0.73 CCR5 (0.55) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960602-B2 A N-[1-(N-carbonyl-2-aminoethyl)-4-piperidinyl]-acetamides derivatives, as immunomodulators, antiinflammatory agents, for treating rheumatoid arthritis, respiratory system disorders, skin disorders; chemical intermediates ASTRAZENECA AB (SE) 2005-11-01 US disclosed
US-20040110794-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1373205-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002076948-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-03 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-20040110794-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CXCR1 CCR5 1/4885KCNH2 1850/4885CYP3A4 1999/4885

“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.