SCHEMBL2916042

SCHEMBL2916042

COc1ccc(CCN2C(=O)NC(=O)C23CCN(Cc2ccccc2)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR5 P51681 7/20 0.50
MMP1 P03956 2/20 0.50
MMP9 P14780 2/20 0.50
MMP13 P45452 2/20 0.50
ADAM17 P78536 2/20 0.50
CCR8 P51685 1/20 0.50
CYP3A4 P08684 1/20 0.49
DRD2 P14416 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CXCR3 P49682 1/20 0.48

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
SCHEMBL2916173 0.88 CYP3A4 (0.49) SIGMAR1MEN1POLBKMT2AMMP1
SCHEMBL2449348 0.85 CCR8 (0.51) SIGMAR1MEN1KMT2ACCR5MMP1
SCHEMBL12580927 0.83 CCR5 (0.51) CCR5CYP3A4CYP2D6CXCR3
SCHEMBL2942975 0.79 SIGMAR1 (0.48) SIGMAR1MEN1POLBKMT2ACCR5
SCHEMBL2086688 0.79 CXCR3 (0.68) CCR5CYP3A4CYP2D6CXCR3
Hydrochloric Acid SCHEMBL2454835 0.79 CYP3A4 (0.75) CCR5CYP3A4CYP2D6
SCHEMBL2917451 0.78 OPRL1 (0.49) SIGMAR1MEN1POLBKMT2AMMP1
SCHEMBL6616737 0.77 CXCR3 (0.69) CCR5CXCR3
SCHEMBL2085845 0.77 CXCR3 (0.81) CCR5CYP3A4CYP2D6CXCR3
SCHEMBL6613998 0.76 OPRL1 (0.56) SIGMAR1KMT2ACCR5CCR8DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO 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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA SIGMAR1 1402/4885MEN1 4719/4885POLB 1911/4885

“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.