SCHEMBL3440183

SCHEMBL3440183

Cc1cc(C)on1.N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.35
EGFR P00533 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP2 O95551 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5728 0.85
Ammonia Solution, Strong SCHEMBL7395872 0.83
SCHEMBL6795542 0.77 HCAR2 (0.42) HCAR2TRPM8MAPTALDH1A1EGFR
SCHEMBL7075996 0.77 HCAR2 (0.52) HCAR2MAPTALDH1A1EGFRGAA
SCHEMBL15009336 0.76 TRPM8 (0.40) HCAR2TRPM8MAPTALDH1A1EGFR
SCHEMBL1904543 0.76 HCAR2 (0.45) HCAR2TRPM8MAPTALDH1A1EGFR
SCHEMBL1759949 0.70
SCHEMBL1128871 0.70
SCHEMBL856667 0.70
SCHEMBL2124100 0.67

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
US-7807841-B2 Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2010-10-05 US disclosed
US-20090124597-A1 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-05-14 US disclosed
CN-101287717-A Spiro-containing compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2008-10-15 CN disclosed
EP-1850844-A2 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM, LLC (BM) 2007-11-07 EP disclosed
WO-2006104594-A2 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-10-05 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-20090124597-A1 SPIRO-CONTAINING COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR3C2, NR5A1, ESRRA HCAR2 217/4885TRPM8 572/4885MAPT 3930/4885

“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.