SCHEMBL1337818

SCHEMBL1337818

CCOC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CN(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41
GRIA2 P42262 1/20 0.41
MAP3K14 Q99558 1/20 0.40
ADORA1 P30542 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
UGCG Q16739 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL4794737 0.81 ADORA1 (0.48) TP53POLBALDH1A1NPSR1MEN1
SCHEMBL31522871 0.81 ALDH1A1 (0.45) TP53POLBALDH1A1NPSR1MEN1
SCHEMBL12602495 0.81 ALDH1A1 (0.47) TP53POLBALDH1A1NPSR1MEN1
SCHEMBL4795149 0.80 SLC5A1 (0.44) TP53ALDH1A1NPSR1MEN1LMNA
SCHEMBL31523222 0.80 MEN1 (0.47) TP53POLBALDH1A1NPSR1MEN1
SCHEMBL16532421 0.80 MAP3K14 (0.49) TP53POLBALDH1A1NPSR1MEN1
SCHEMBL1337554 0.80 CNR2 (0.46) CYP2C9GRIA2MAP3K14UGCG
SCHEMBL1337553 0.80 CNR2 (0.46) CYP2C9GRIA2MAP3K14UGCG
SCHEMBL31522992 0.79 ALDH1A1 (0.46) TP53POLBALDH1A1NPSR1MEN1
SCHEMBL31522846 0.78 LMNA (0.43) TP53POLBALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
EP-2391627-B1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS INC (US) 2013-12-25 EP disclosed
EP-2391627-A2 BICYCLIC PYRAZOLO-HETEROCYCLES Cara Therapeutics, Inc. (US) 2011-12-07 EP disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2010088050-A2 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2010-08-05 WO disclosed
WO-2010088050-A2 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2010-08-05 WO 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-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, HRH4 TP53 2950/4885POLB 2595/4885ALDH1A1 1849/4885

“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.