SCHEMBL89601

SCHEMBL89601

COCCN(Cc1cc(CBr)cc(OC)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ROCK2 O75116 2/20 0.35
SSTR4 P31391 1/20 0.35
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MLYCD O95822 1/20 0.33
TACR1 P25103 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CETP P11597 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL89599 0.89 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10282917 0.88 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8262797 0.86 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8263905 0.84 HDAC1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL90346 0.82 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13166745 0.76 HDAC1 (0.45) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL3567836 0.75 RIPK1 (0.46) ROCK2SSTR4HDAC1HDAC3HDAC2
SCHEMBL28987476 0.74 PPARG (0.47) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1800114 0.74 CYP4F2 (0.42) ROCK2SSTR4HDAC1HDAC3HDAC2
SCHEMBL25489056 0.74 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2HDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (2 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE GRIN2D 1406/4885GRIN3B 594/4885GRIN1 2171/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 GRIN2D 3383/4885GRIN3B 2869/4885GRIN1 3182/4885

“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.