SCHEMBL8510762

SCHEMBL8510762

O=C(O)N(Cc1cscn1)[C@@H]1C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.45
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
OPRM1 P35372 2/20 0.39
ACACB O00763 8/20 0.38
FFAR1 O14842 1/20 0.38
AGTR2 P50052 1/20 0.37
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL8510765 1.00 GRIN2B (0.45) GRIN2BHCRTR1HCRTR2DRD2DRD3
SCHEMBL8510018 0.86 GRIN2B (0.43) GRIN2BHCRTR1HCRTR2DRD2DRD3
SCHEMBL8510014 0.86 GRIN2B (0.43) GRIN2BHCRTR1HCRTR2DRD2DRD3
SCHEMBL8511717 0.79 PDE10A (0.39) HCRTR1HCRTR2AGTR2HRH3
SCHEMBL8511709 0.79 PDE10A (0.39) HCRTR1HCRTR2AGTR2HRH3
SCHEMBL8509517 0.73 AGTR2 (0.37) AGTR2DPP4DPP9
SCHEMBL8509515 0.73 AGTR2 (0.37) AGTR2DPP4DPP9
SCHEMBL16174466 0.70 GRIN2B (0.56) GRIN2BHCRTR1HCRTR2DRD2DRD3
SCHEMBL16174465 0.70 GRIN2B (0.56) GRIN2BHCRTR1HCRTR2DRD2DRD3
SCHEMBL16174448 0.70 GRIN2B (0.53) GRIN2BHCRTR1HCRTR2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US claimed
US-8865738-B2 5-membered heterocyclic compound cyclopenta[C]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2014-10-21 US disclosed
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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 (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-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CA9, SCN9A, CCR9 GRIN2B 395/4885HCRTR1 236/4885HCRTR2 463/4885

“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.