SCHEMBL5031890

SCHEMBL5031890

COC[C@@H]1C[C@H](NC(=O)O)CC[C@@H]1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
CCR2 P41597 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
SLC6A12 P48065 3/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
BTK Q06187 1/20 0.31
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL5229366 1.00 NPSR1 (0.33) NPSR1CCR2SMYD3SLC6A12SLC6A11
SCHEMBL5031894 1.00 NPSR1 (0.33) NPSR1CCR2SMYD3SLC6A12SLC6A11
SCHEMBL19715160 0.83 CCR2 (0.36) CCR2SMYD3SLC6A12SLC6A11SLC6A13
SCHEMBL3733095 0.81 BTK (0.51) BTK
SCHEMBL3733091 0.81 BTK (0.51) BTK
SCHEMBL3736905 0.80 SLC6A12 (0.35) CCR2SLC6A12SLC6A11SLC6A13
SCHEMBL3736900 0.80 SLC6A12 (0.35) CCR2SLC6A12SLC6A11SLC6A13
SCHEMBL5029588 0.77 FFAR4 (0.41) CCR2
SCHEMBL5029580 0.77 FFAR4 (0.41) CCR2
SCHEMBL3741790 0.77 CCR2 (0.38) CCR2SMYD3SLC6A12SLC6A11SLC6A13

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 NPSR1 303/4885CCR2 3/4885SMYD3 3068/4885

“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.