SCHEMBL2483457

SCHEMBL2483457

O=C1CC2(C(=O)N1)C(=O)Nc1ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.56
IDO1 P14902 2/20 0.47
AHR P35869 2/20 0.45
CMA1 P23946 1/20 0.45
PDE7A Q13946 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MGAM O43451 1/20 0.43
HTR1A P08908 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PGR P06401 3/20 0.42

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
SCHEMBL2484250 0.87 AKR1B1 (0.52) AKR1B1IDO1AHRCMA1PDE7A
SCHEMBL22904106 0.80 CA9 (0.44) AKR1B1MEN1KMT2AGAA
SCHEMBL22904130 0.80 CMA1 (0.45) AKR1B1AHRCMA1MEN1KMT2A
SCHEMBL2480451 0.79 PDE7A (0.47) AKR1B1IDO1AHRCMA1PDE7A
SCHEMBL4387328 0.76 PDE7A (0.48) AKR1B1PDE7APGR
SCHEMBL10834099 0.75 PDK2 (0.50) AKR1B1IDO1MEN1KMT2AGAA
SCHEMBL19260231 0.75 AHR (0.54) AKR1B1IDO1AHRCMA1PDE7A
SCHEMBL16166247 0.75 AKR1B1 (0.40) AKR1B1IDO1MEN1KMT2AMGAM
SCHEMBL16166401 0.75 AKR1B1 (0.40) AKR1B1IDO1MEN1KMT2AMGAM
SCHEMBL16166534 0.74 AKR1B1 (0.39) AKR1B1IDO1MEN1KMT2AMGAM

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 14 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
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
US-4523021-A ANTIDIABETIC AND ANTIGLACTOSEMIA AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-11 US disclosed
EP-0065407-B1 PHARMACEUTICAL SPIRO-SUCCINIMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-13 EP disclosed
US-4478847-A ALDOSE REDUCTASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-23 US disclosed
EP-0065407-A2 Pharmaceutical spiro-succinimide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP 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 AKR1B1 109/4885IDO1 1371/4885AHR 270/4885

“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.