SCHEMBL2485481

SCHEMBL2485481

NC(=O)CC1(C[N+](=O)[O-])C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
CBX7 O95931 2/20 0.41
CDYL Q9Y232 2/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
PGR P06401 1/20 0.40
HTR7 P34969 3/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
IP6K1 Q92551 5/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MGAM O43451 1/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL12205319 0.85 PGR (0.43) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL11959112 0.82 CASP6 (0.43) IDO1MEN1KMT2AGAA
SCHEMBL2482415 0.80 PGR (0.41) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL11979737 0.80 IDO1 (0.50) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL16377143 0.77 IDO1 (0.62) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL12205346 0.73 IDO1 (0.43) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL10826731 0.70 IDO1 (0.50) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2485622 0.69 IDO1 (0.41) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL11959125 0.69 IDO1 (0.41) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2480466 0.68 IDO1 (0.42) IDO1CBX7CDYLCDYL2CDY1; CDY1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 US disclosed
US-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 US disclosed
EP-1891075-B1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO SA (CH) 2011-10-19 EP disclosed
US-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators LABORATOIRES SERONO S.A. (CH) 2009-12-24 US disclosed
US-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators LABORATOIRES SERONO S.A. (CH) 2009-12-24 US disclosed
EP-1891075-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-02-27 EP disclosed
WO-2006125784-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2006-11-30 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-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators RORB, NR3C2, NR1H2 IDO1 1371/4885CBX7 2072/4885CDYL 2752/4885

“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.