SCHEMBL5031949

SCHEMBL5031949

CC(C)C(O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CCR2 P41597 8/20 0.35
KCNH2 Q12809 4/20 0.35
CYP2D6 P10635 3/20 0.35
SLC18A3 Q16572 1/20 0.34
EBP Q15125 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RORC P51449 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL5031820 0.81 CCR2 (0.39) SLC6A2SLC6A4CCR2KCNH2CYP2D6
SCHEMBL5029381 0.81 SLC6A4 (0.38) SLC6A2SLC6A4CCR2KCNH2CYP2D6
SCHEMBL5027115 0.71 CCR2 (0.43) CCR2KCNH2CYP2D6MEN1KMT2A
SCHEMBL5027120 0.71 CCR2 (0.43) CCR2KCNH2CYP2D6MEN1KMT2A
SCHEMBL5027117 0.71 CCR2 (0.43) CCR2KCNH2CYP2D6MEN1KMT2A
SCHEMBL29696502 0.68 SLC6A2 (0.52) SLC6A2SLC6A4SLC18A3MEN1KMT2A
SCHEMBL28724595 0.68 SLC6A2 (0.52) SLC6A2SLC6A4SLC18A3MEN1KMT2A
SCHEMBL21227921 0.68 SLC6A2 (0.52) SLC6A2SLC6A4SLC18A3MEN1KMT2A
SCHEMBL28722408 0.68 SLC6A2 (0.52) SLC6A2SLC6A4SLC18A3MEN1KMT2A
SCHEMBL17802185 0.66 SLC6A2 (0.45) SLC6A2SLC6A4CYP2D6MEN1KMT2A

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 SLC6A2 2558/4885SLC6A4 1592/4885CCR2 3/4885

“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.