SCHEMBL5029093

SCHEMBL5029093

CC(C)N(C)C1CCC(NC(=O)CC(=O)Nc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.52
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
CXCR3 P49682 2/20 0.43
DRD4 P21917 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
FASN P49327 1/20 0.42

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
SCHEMBL5029100 1.00 CCR2 (0.52) CCR2UBE2MDCUN1D1CXCR3DRD4
SCHEMBL5029307 0.80 CCR2 (0.52) CCR2EPHX2
SCHEMBL5029300 0.80 CCR2 (0.52) CCR2EPHX2
SCHEMBL3422537 0.80 CCR2 (0.61) CCR2
SCHEMBL9429773 0.73 NPC1 (0.55) EPHX2PRMT5WDR77
SCHEMBL5031886 0.72 CCR2 (0.72) CCR2
SCHEMBL30865845 0.71 MTNR1A (0.57) PRMT5WDR77
SCHEMBL26623324 0.71 MTNR1A (0.57) PRMT5WDR77
SCHEMBL9842887 0.69 F2R (0.68) PRMT5WDR77
SCHEMBL19538915 0.69 MTNR1B (0.57) EPHX2

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 3/4885UBE2M 4862/4885DCUN1D1 2001/4885

“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.