SCHEMBL2480561

SCHEMBL2480561

O=C1NC(=O)C2(N1)C(=O)Nc1ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.68
AKR1A1 P14550 3/20 0.68
PDE7A Q13946 2/20 0.53
IDO1 P14902 2/20 0.48
CYP2C9 P11712 3/20 0.44
HTR2A P28223 2/20 0.43
MGAM O43451 1/20 0.43
HTR1A P08908 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ITGA4 P13612 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 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
SCHEMBL11001789 0.81 AKR1B1 (1.00) AKR1B1AKR1A1ITGA4
SCHEMBL10930167 0.74 AKR1A1 (1.00) AKR1B1AKR1A1CYP2C9HTR2AITGA4
SCHEMBL3035791 0.74 ITGA4 (0.63) AKR1B1AKR1A1PDE7ACYP2C9HTR2A
SCHEMBL2265588 0.74 IDO1 (0.53) AKR1B1AKR1A1PDE7AIDO1HTR2A
SCHEMBL25892728 0.73 AKR1B1 (0.82) AKR1B1AKR1A1ITGA4
SCHEMBL10853344 0.73 AKR1B1 (0.50) AKR1B1AKR1A1PDE7AIDO1
SCHEMBL9673837 0.73 AKR1A1 (0.82) AKR1B1AKR1A1ITGA4
SCHEMBL1722012 0.73 PGR (0.69) AKR1B1PDE7AIDO1
SCHEMBL8913575 0.73 IDO1 (0.51) AKR1B1AKR1A1PDE7AIDO1HTR2A
SCHEMBL10656869 0.72 AKR1B1 (1.00) AKR1B1

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
EP-0127412-B1 IMIDAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1990-10-17 EP disclosed
US-4533667-A FOR TREATMENT OF DIABETES PFIZER INC. (US) 1985-08-06 US disclosed
EP-0127412-A2 Imidazolidinedione derivatives PFIZER INC. (US) 1984-12-05 EP disclosed
US-4464380-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1984-08-07 US 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 109/4885AKR1A1 160/4885PDE7A 3694/4885

“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.