SCHEMBL10296209

SCHEMBL10296209

CC(=O)C1C(=O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.40
UCHL1 P09936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL3626968 0.88 HSD17B10 (0.46) NPC1HSD17B10UCHL1ALDH1A1LMNA
SCHEMBL30439876 0.88 HSD17B10 (0.40) NPC1HSD17B10UCHL1ALDH1A1LMNA
SCHEMBL4147539 0.85 NPC1 (0.39) NPC1HSD17B10UCHL1LMNANPSR1
SCHEMBL4717013 0.85 HSD17B10 (0.44) NPC1HSD17B10UCHL1ALDH1A1LMNA
SCHEMBL4397346 0.84 NPC1 (0.39) NPC1HSD17B10UCHL1ALDH1A1LMNA
SCHEMBL31603663 0.82 MEN1 (0.42) HSD17B10ALDH1A1TSHRHPGDATM
SCHEMBL3805159 0.81 HSD17B10 (0.42) NPC1HSD17B10UCHL1ALDH1A1LMNA
SCHEMBL4766170 0.81 HSD17B10 (0.42) NPC1HSD17B10UCHL1ALDH1A1LMNA
SCHEMBL5420095 0.78 HSD17B10 (0.42) HSD17B10
SCHEMBL21818930 0.78 ATM (0.42) NPC1HSD17B10UCHL1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211926-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2012-07-03 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-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 NPC1 450/4885HSD17B10 2235/4885UCHL1 4477/4885
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, HRH4 NPC1 1196/4885HSD17B10 3311/4885UCHL1 4002/4885

“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.