SCHEMBL1395236

SCHEMBL1395236

CC(C)(C)OC(=O)N1CC2CN(c3ccccc3C(F)(F)F)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.52
RORC P51449 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
AKR1C3 P42330 1/20 0.46
PDE10A Q9Y233 2/20 0.44
NR1H2 P55055 1/20 0.43
HSD11B1 P28845 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
NAMPT P43490 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
TTR P02766 1/20 0.42
USP30 Q70CQ3 1/20 0.42
LIPE Q05469 2/20 0.41

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
SCHEMBL17502962 1.00 RBP4 (0.52) RBP4RORCGPR119AKR1C3PDE10A
SCHEMBL20818495 0.84 AKR1C3 (0.60) RBP4GPR119AKR1C3HSD11B1TRPV1
SCHEMBL31694435 0.84 AKR1C3 (0.60) RBP4GPR119AKR1C3HSD11B1TRPV1
SCHEMBL30046878 0.83 GPR119 (0.49) RORCGPR119AKR1C3PDE10ANR1H2
SCHEMBL10111993 0.83 GPR119 (0.49) RORCGPR119AKR1C3PDE10ANR1H2
SCHEMBL1394196 0.81 RBP4 (0.57) RBP4AKR1C3TRPV1TTR
SCHEMBL20510802 0.81 CACNB4 (0.50) GPR119AKR1C3
SCHEMBL24041476 0.80 GPR119 (0.46) RORCGPR119PDE10ANR1H2JAK2
SCHEMBL20510930 0.80 GPR119 (0.52) GPR119AKR1C3PDE10ANR1H2OPRM1
SCHEMBL2456832 0.80 GRM1 (0.56) RORCGPR119PDE10ANR1H2NAMPT

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-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 US disclosed
US-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-10-18 US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 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 (4 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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS RBP4 4178/4885RORC 3265/4885GPR119 1290/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN RBP4 602/4885RORC 805/4885GPR119 91/4885
US-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS RBP4 4178/4885RORC 3265/4885GPR119 1290/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS RBP4 4178/4885RORC 3265/4885GPR119 1290/4885

“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.