SCHEMBL4387328

SCHEMBL4387328

COc1ccc2c(c1)C1(CC(=O)NC1=O)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.48
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
AKR1B1 P15121 1/20 0.46
PGR P06401 1/20 0.45
ALDH1A1 P00352 2/20 0.43
AURKB Q96GD4 2/20 0.42
PLK4 O00444 1/20 0.42
OTUD7B Q6GQQ9 1/20 0.41
NQO2 P16083 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2482595 0.81 ADAMTS5 (0.47) OTUD7B
SCHEMBL2206655 0.78 PDE3B (0.53) PDE7APDE3BPDE3AMAOAMAOB
SCHEMBL28578842 0.76 PDE7A (0.55) PDE7APDE3BPDE3AMAOAMAOB
SCHEMBL22904130 0.76 CMA1 (0.45) AKR1B1ALDH1A1
SCHEMBL22904106 0.76 CA9 (0.44) AKR1B1CA9
SCHEMBL2483457 0.76 AKR1B1 (0.56) PDE7AAKR1B1PGR
SCHEMBL29487409 0.76 PDE7A (0.55) PDE7APDE3BPDE3AMAOAMAOB
SCHEMBL14425113 0.76 PDE7A (0.46) PDE7APDE3BPDE3AMAOAMAOB
SCHEMBL2270260 0.76 PGR (0.70) PDE7APDE3BPDE3AMAOBAKR1B1
SCHEMBL16175837 0.73 NPBWR1 (0.44) ALDH1A1

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
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

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 PDE7A 3694/4885PDE3B 2717/4885PDE3A 3127/4885

“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.