SCHEMBL8510014

SCHEMBL8510014

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
FFAR1 O14842 2/20 0.38
ACACB O00763 7/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
OPRM1 P35372 2/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
AGTR2 P50052 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL8510018 1.00 GRIN2B (0.43) GRIN2BHCRTR1HCRTR2FFAR1ACACB
SCHEMBL8510765 0.86 GRIN2B (0.45) GRIN2BHCRTR1HCRTR2FFAR1ACACB
SCHEMBL8510762 0.86 GRIN2B (0.45) GRIN2BHCRTR1HCRTR2FFAR1ACACB
SCHEMBL8509603 0.78 AGTR2 (0.35) ACACBAGTR2
SCHEMBL8509601 0.78 AGTR2 (0.35) ACACBAGTR2
SCHEMBL8509249 0.77 GRM1 (0.36) HCRTR1HCRTR2ACACBDRD2DRD3
SCHEMBL8509251 0.77 GRM1 (0.36) HCRTR1HCRTR2ACACBDRD2DRD3
SCHEMBL2406718 0.74 KMO (0.38)
SCHEMBL8513249 0.73 RET (0.40)
SCHEMBL8513245 0.73 RET (0.40)

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 2 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-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.