SCHEMBL2480451

SCHEMBL2480451

O=C1NCCC12C(=O)Nc1ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.47
IDO1 P14902 2/20 0.46
PGR P06401 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGAM O43451 1/20 0.42
HTR1A P08908 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PKM P14618 1/20 0.41
AKR1B1 P15121 4/20 0.40
AHR P35869 2/20 0.40
CMA1 P23946 1/20 0.40
IP6K1 Q92551 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
SCHEMBL2483457 0.79 AKR1B1 (0.56) PDE7AIDO1PGRMEN1KMT2A
SCHEMBL2380976 0.78 DRD2 (0.43) KMT2AHTR6AHRCMA1
SCHEMBL11959114 0.76 BACE1 (0.51) PDE7AIDO1MEN1KMT2AGAA
SCHEMBL29860221 0.76 PGR (0.69) PDE7AIDO1PGRMEN1KMT2A
SCHEMBL26666506 0.76 PGR (0.69) PDE7AIDO1PGRMEN1KMT2A
SCHEMBL4952486 0.74 PGR (0.58) PDE7AIDO1PGRMEN1KMT2A
SCHEMBL11641485 0.73 PGR (0.71) PDE7APGRIP6K1
Hydrochloric Acid SCHEMBL25355728 0.73 PGR (0.57) PDE7AIDO1PGRMEN1KMT2A
SCHEMBL5482190 0.72 PGR (0.72) PDE7APGRIP6K1
SCHEMBL2265588 0.72 IDO1 (0.53) PDE7AIDO1PGRMEN1KMT2A

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 8 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

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 3694/4885IDO1 1371/4885PGR 510/4885

“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.