SCHEMBL3276548

SCHEMBL3276548

COc1ccc2c(Cn3c(C(=O)O)cc4ccccc43)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.54
CCR9 P51686 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCL1 Q07820 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL3279450 0.91 CCR2 (0.58) CCR2CCR9ALDH1A1KDM4EHPGD
SCHEMBL3279820 0.91 CCR2 (0.54) CCR2CCR9MTNR1AMTNR1BALDH1A1
SCHEMBL3277165 0.89 CCR2 (0.52) CCR2ALDH1A1MCL1CYP1A2POLB
SCHEMBL3276758 0.89 CCR2 (0.58) CCR2CCR9MTNR1AMTNR1BALDH1A1
SCHEMBL3276249 0.85 CCR2 (0.55) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3279620 0.82 CCR2 (0.70) CCR2CCR9
SCHEMBL3956671 0.81 CCR2 (0.77) CCR2CCR9POLB
SCHEMBL27597968 0.81 CCR2 (0.62) CCR2ALDH1A1KDM4EMCL1CYP1A2
SCHEMBL29433700 0.81 CCR2 (0.74) CCR2CCR9ALDH1A1MCL1CYP1A2
SCHEMBL3964251 0.81 CCR2 (0.74) CCR2CCR9ALDH1A1MCL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 CCR2 2308/4885CCR9 2473/4885MTNR1A 147/4885

“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.