SCHEMBL2995627

SCHEMBL2995627

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N)C[C@H]1CS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.54
MAOB P27338 2/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP13 P45452 2/20 0.39
CCR5 P51681 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL3424689 0.88 CCR2 (0.57) CCR2MAOBMAOA
SCHEMBL5757482 0.88 CCR2 (0.57) CCR2MAOBMAOA
SCHEMBL2990164 0.88 CCR2 (0.57) CCR2MAOBMAOA
SCHEMBL4417528 0.81 ALDH1A1 (0.47) CCR2MAOBKDM1AKMT2AL3MBTL1
SCHEMBL4419851 0.81 CCR2 (0.54) CCR2MAOBKDM1AKMT2AL3MBTL1
SCHEMBL5543212 0.77 MAOB (0.52) MAOBKDM1AMAOAKMT2AL3MBTL1
SCHEMBL5548715 0.77 MAOB (0.52) MAOBKDM1AMAOAKMT2AL3MBTL1
SCHEMBL5548711 0.77 MAOB (0.52) MAOBKDM1AMAOAKMT2AL3MBTL1
SCHEMBL5756396 0.74 CCR2 (0.59) CCR2MAOBMAOA
SCHEMBL2991013 0.74 CCR2 (0.59) CCR2MAOBMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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 (2 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 CCR2 10/4885MAOB 3499/4885KDM1A 4507/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 CCR2 10/4885MAOB 3374/4885KDM1A 4330/4885

“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.