SCHEMBL5029588

SCHEMBL5029588

N[C@H]1CCC(NC(=O)O)C[C@H]1COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
CCR2 P41597 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
SCN3A Q9NY46 1/20 0.37
SSTR4 P31391 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
SCHEMBL5029580 1.00 FFAR4 (0.41) FFAR4CCR2LMNASMN1; SMN2ALDH1A1
SCHEMBL5229366 0.77 NPSR1 (0.33) CCR2
SCHEMBL5031894 0.77 NPSR1 (0.33) CCR2
SCHEMBL5031890 0.77 NPSR1 (0.33) CCR2
SCHEMBL5027129 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL5027126 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL6138284 0.76 TDP1 (0.52) FFAR4LMNA
SCHEMBL3736900 0.74 SLC6A12 (0.35) CCR2
SCHEMBL19715160 0.74 CCR2 (0.36) CCR2
SCHEMBL3736905 0.74 SLC6A12 (0.35) CCR2

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 FFAR4 234/4885CCR2 3/4885LMNA 4639/4885

“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.