SCHEMBL5029307

SCHEMBL5029307

COc1cc(NC(=O)CC(=O)N[C@H]2CC[C@H](N(C)C(C)C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.52
EPHX2 P34913 1/20 0.45
TMPRSS4 Q9NRS4 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
ACP1 P24666 1/20 0.38
P2RX1 P51575 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL5029300 1.00 CCR2 (0.52) CCR2EPHX2TMPRSS4ALDH1A1HCRTR1
SCHEMBL5031877 0.83 CCR2 (0.57) CCR2EPHX2CYP2D6KCNH2
SCHEMBL5031879 0.83 CCR2 (0.57) CCR2EPHX2CYP2D6KCNH2
SCHEMBL5029656 0.83 CCR2 (0.57) CCR2EPHX2CYP2D6KCNH2
SCHEMBL5029650 0.83 CCR2 (0.57) CCR2EPHX2CYP2D6KCNH2
SCHEMBL5029093 0.80 CCR2 (0.52) CCR2EPHX2
SCHEMBL5029100 0.80 CCR2 (0.52) CCR2EPHX2
SCHEMBL5142357 0.80 POLB (0.57) CCR2EPHX2TMPRSS4ALDH1A1POLB
SCHEMBL3425201 0.78 CCR2 (0.63) CCR2CYP2D6KCNH2
SCHEMBL3425203 0.78 CCR2 (0.63) CCR2CYP2D6KCNH2

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 3/4885EPHX2 2676/4885TMPRSS4 729/4885

“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.