SCHEMBL2909327

SCHEMBL2909327

CC(C)(C)OC(=O)Cc1cccc(N2CCC3(CC2)C(=O)N(CC2CCC2)C(=O)N3CCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
EBP Q15125 4/20 0.35
KCNH2 Q12809 2/20 0.35
TACR1 P25103 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
OPRK1 P41145 2/20 0.33
RORC P51449 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
CHRM4 P08173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2915435 0.90 SIGMAR1 (0.38) OPRM1OPRL1EBPKCNH2TACR1
SCHEMBL2910510 0.88 SIGMAR1 (0.38) OPRM1OPRL1EBPKCNH2TACR1
SCHEMBL2909588 0.88 MCHR1 (0.37) OPRM1OPRL1KCNH2CYP1A2MEN1
SCHEMBL2916834 0.86 HTR1A (0.39) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL13212510 0.84 OPRL1 (0.41) OPRM1OPRL1EBPKCNH2TACR1
SCHEMBL2909717 0.82 ITGB3 (0.41) EBPKCNH2TACR1SIGMAR1CYP3A4
SCHEMBL2917223 0.81 CHRM4 (0.43) CYP3A4CYP2C9CHRM4
SCHEMBL13849471 0.81 FFAR4 (0.39) OPRM1OPRL1EBPKCNH2CYP3A4
SCHEMBL2917453 0.81 FFAR4 (0.42) OPRM1OPRL1KCNH2CYP1A2ALDH1A1
SCHEMBL2914958 0.81 ITGB3 (0.41) EBPKCNH2TACR1SIGMAR1CYP3A4

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
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

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 OPRM1 2790/4885OPRL1 1719/4885EBP 69/4885

“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.