SCHEMBL2482415

SCHEMBL2482415

N#CCC1(C[N+](=O)[O-])C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.41
IDO1 P14902 2/20 0.41
HTR7 P34969 3/20 0.40
MGAM O43451 1/20 0.38
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CBX7 O95931 2/20 0.36
CDYL Q9Y232 2/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
VCAM1 P19320 1/20 0.35
AKR1B1 P15121 3/20 0.34
MEN1 O00255 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 0.84 PGR (0.43) PGRIDO1HTR7MGAMHTR1A
SCHEMBL11959110 0.81 ALDH1A1 (0.43) GAABCHEACHEALDH1A1MEN1
SCHEMBL2485481 0.80 IDO1 (0.48) PGRIDO1HTR7MGAMHTR1A
SCHEMBL16377143 0.76 IDO1 (0.62) PGRIDO1HTR7MGAMHTR1A
SCHEMBL2485622 0.73 IDO1 (0.41) IDO1HTR7MGAMHTR1AGAA
SCHEMBL2480466 0.72 IDO1 (0.42) IDO1HTR7MGAMHTR1AGAA
SCHEMBL11959125 0.70 IDO1 (0.41) IDO1BCHEACHEALDH1A1CBX7
SCHEMBL7348793 0.69 PGR (0.49) PGRIDO1HTR7MGAMHTR1A
SCHEMBL12205346 0.65 IDO1 (0.43) IDO1BCHEACHECBX7CDYL
SCHEMBL9542686 0.65 ADAM17 (0.48) BCHEAKR1B1PDE7A

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 9 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
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
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 PGR 510/4885IDO1 1371/4885HTR7 3447/4885

“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.