SCHEMBL5033628

SCHEMBL5033628

CCCCC1CC(NC(C)(C)C)CCC1NC(=O)CNC(=O)c1cc(C(C)(C)C)oc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.43
CYP2D6 P10635 4/20 0.43
KCNH2 Q12809 4/20 0.43
CCR5 P51681 1/20 0.43
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CYP26A1 O43174 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5033631 1.00 CCR2 (0.43) CCR2CYP2D6KCNH2CCR5LMNA
SCHEMBL5033633 1.00 CCR2 (0.43) CCR2CYP2D6KCNH2CCR5LMNA
SCHEMBL5033751 0.89 LMNA (0.39) CCR2LMNAALDH1A1PKMMAPT
SCHEMBL5033745 0.89 LMNA (0.39) CCR2LMNAALDH1A1PKMMAPT
SCHEMBL5033647 0.82 LMNA (0.45) LMNAALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL5031881 0.78 CCR2 (0.62) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031884 0.78 CCR2 (0.62) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031887 0.78 CCR2 (0.62) CCR2CYP2D6KCNH2CCR5
SCHEMBL5033602 0.78 CCR2 (0.49) CCR2CYP2D6KCNH2CCR5RAB9A
SCHEMBL5033606 0.78 CCR2 (0.49) CCR2CYP2D6KCNH2CCR5RAB9A

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.