SCHEMBL5031723

SCHEMBL5031723

CCC[C@@H]1C[C@H](N2CCCC2)CC[C@@H]1NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.47
CYP2D6 P10635 3/20 0.47
KCNH2 Q12809 3/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR5 P51681 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5031839 0.89 CCR2 (0.49) CCR2CYP2D6KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5030350 0.87 CCR2 (0.60) CCR2CYP2D6KCNH2CCR5
SCHEMBL5030339 0.87 CCR2 (0.60) CCR2CYP2D6KCNH2CCR5
SCHEMBL5030545 0.85 CCR2 (0.66) CCR2CYP2D6KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5029323 0.85 CCR2 (0.66) CCR2CYP2D6KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5030451 0.85 CCR2 (0.55) CCR2CYP2D6KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5033707 0.80 CCR2 (0.69) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031979 0.80 CCR2 (0.69) CCR2CYP2D6KCNH2CCR5
SCHEMBL5029441 0.79 CCR2 (0.67) CCR2CYP2D6KCNH2ALDH1A1CCR5
SCHEMBL5027105 0.76 CCR2 (0.61) CCR2CYP2D6KCNH2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCR2 3/4885CYP2D6 3033/4885KCNH2 1662/4885

“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.