SCHEMBL1336775

SCHEMBL1336775

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CREBBP Q92793 2/20 0.47
BRD4 O60885 1/20 0.47
NPC1 O15118 1/20 0.47
HMOX1 P09601 4/20 0.44
ESR2 Q92731 1/20 0.42
RBP4 P02753 1/20 0.42
NR1H2 P55055 1/20 0.41
EP300 Q09472 1/20 0.40

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
SCHEMBL1337642 0.92 MAPK1 (0.46) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL4762437 0.89 MAPK1 (0.72) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL4712216 0.86 MAPK1 (0.56) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL10296223 0.85 MAPK1 (0.47) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL2977256 0.84 MAPK1 (0.57) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL2975661 0.84 MAPK1 (0.56) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL2966970 0.84 MAPK1 (0.49) MAPK1CREBBPBRD4NPC1HMOX1
SCHEMBL10095067 0.84 BRD4 (0.67) MAPK1CREBBPBRD4NPC1EP300
SCHEMBL4030200 0.83 MAPK1 (0.48) MAPK1DPP4DPP8DPP9DPP7
SCHEMBL10211781 0.83 MAPK1 (0.55) MAPK1CREBBPBRD4NPC1

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 19 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
US-8211926-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2012-07-03 US disclosed
US-8211926-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2012-07-03 US disclosed
US-8211926-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2012-07-03 US 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
US-20110144121-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
US-20110144121-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
US-20110144121-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-06-16 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
US-7741350-B1 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2010-06-22 US disclosed
US-7741350-B1 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2010-06-22 US disclosed
US-7741350-B1 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2010-06-22 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-20110144121-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, TRPV1 MAPK1 632/4885DPP4 3299/4885DPP8 2260/4885
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, HRH4 MAPK1 637/4885DPP4 3516/4885DPP8 2255/4885

“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.