SCHEMBL2917005

SCHEMBL2917005

COC(=O)C(C)(C)Oc1cc(Cl)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.36
CNR2 P34972 3/20 0.36
LMNA P02545 2/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
PPARA Q07869 2/20 0.33
ABCB11 O95342 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAP4K4 O95819 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
ATR Q13535 1/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL12885000 0.77 ALDH1A1 (0.37) CNR2LMNACYP1A2CYP3A4PPARA
SCHEMBL12884999 0.73 SMN1; SMN2 (0.40) CNR2LMNACYP2C19CYP1A2CYP3A4
SCHEMBL2913933 0.73 ALDH1A1 (0.37) CNR2LMNACYP2C19CYP1A2CYP3A4
SCHEMBL28898352 0.73 KCNN4 (0.40) P2RX3CYP2C19CYP1A2CYP3A4KMT2A
SCHEMBL12888238 0.73 POLB (0.40) LMNAPPARATSHRKMT2ASMN1; SMN2
SCHEMBL1934857 0.73 L3MBTL1 (0.37) P2RX3LMNACYP1A2ALDH1A1L3MBTL1
SCHEMBL116911 0.72 SMN1; SMN2 (0.40) CNR2LMNACYP2C19TSHRALDH1A1
SCHEMBL31051487 0.70
SCHEMBL31051498 0.70
SCHEMBL632070 0.70

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 P2RX3 488/4885CNR2 328/4885LMNA 2231/4885

“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.