SCHEMBL5029520

SCHEMBL5029520

CC(C)N(C)C1CCC(NC(=O)CNc2nc(CCCc3ccccc3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
CCRL2 O00421 5/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
HTR3A P46098 2/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
PLA2G2A P14555 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
FASN P49327 1/20 0.35
BRD4 O60885 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL5029521 1.00 CCR2 (0.41) CCR2CCRL2PIK3CDPIK3R1HRH4
SCHEMBL5030264 0.80 CCRL2 (0.53) CCR2CCRL2
SCHEMBL5030259 0.80 CCRL2 (0.53) CCR2CCRL2
SCHEMBL5029191 0.74 RXFP1 (0.42) CCRL2HRH4
SCHEMBL5029183 0.74 RXFP1 (0.42) CCRL2HRH4
SCHEMBL5027260 0.70 CTNNB1 (0.44) CCRL2HRH4
SCHEMBL5029694 0.69 HRH4 (0.40) CCR2CCRL2HRH4HTR3AKCNH2
SCHEMBL5031954 0.67 CTNNB1 (0.43) CCRL2HRH4HTR3ABRD4
SCHEMBL5029624 0.67 CCRL2 (0.49) CCRL2
SCHEMBL5030442 0.66 ALDH1A1 (0.67) CCR2CYP2D6KCNH2LIPCLIPG

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 3/4885CCRL2 15/4885PIK3CD 4286/4885

“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.