SCHEMBL2913689

SCHEMBL2913689

COc1ccc(CCNC2(C#N)CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
CYP2C9 P11712 1/20 0.44
HRH2 P25021 1/20 0.44
POLB P06746 1/20 0.43
NR3C1 P04150 1/20 0.43

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
SCHEMBL4125351 0.87 SIGMAR1 (0.56) SIGMAR1CYP2D6ALDH1A1SMN1; SMN2TSHR
SCHEMBL9231201 0.79 CYP2D6 (0.48) SIGMAR1CYP3A4CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL9232577 0.78 CYP2D6 (0.50) CYP3A4CYP2D6ALDH1A1SMN1; SMN2TSHR
SCHEMBL4272060 0.73 SIGMAR1 (0.60) SIGMAR1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL8896675 0.73 SMN1; SMN2 (0.59) SIGMAR1CYP2D6ALDH1A1SMN1; SMN2TSHR
SCHEMBL24853447 0.72 SIGMAR1 (0.53) SIGMAR1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL7016275 0.70 SIGMAR1 (0.72) SIGMAR1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4265747 0.70 CYP2D6 (0.58) SIGMAR1CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL12581100 0.70 OPRM1 (0.51) SIGMAR1CYP3A4CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL9227633 0.70 CTSL (0.49) CYP3A4CYP2D6ALDH1A1TSHRUSP2

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 5 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
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 1402/4885CYP3A4 313/4885CYP2D6 440/4885

“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.