SCHEMBL6085015

SCHEMBL6085015

C[C@H]1CC[C@H](NC(=O)c2cnc3c(C(F)(F)F)cccc3c2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
P2RX7 Q99572 1/20 0.43
NPC1 O15118 2/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
KAT2B Q92831 1/20 0.40
RORC P51449 1/20 0.40
PTGES O14684 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL6085021 1.00 RAB9A (0.49) RAB9ATAS1R3TAS1R1TAS1R2NR1H2
SCHEMBL6084034 0.78 RAB9A (0.48) RAB9A
SCHEMBL6085342 0.78 RAB9A (0.48) RAB9A
SCHEMBL6084047 0.78 RAB9A (0.48) RAB9A
SCHEMBL6085337 0.78 RAB9A (0.48) RAB9A
SCHEMBL6084771 0.76 TAS1R3 (0.57) RAB9ATAS1R3TAS1R1TAS1R2NPC1
SCHEMBL6085621 0.76 RAB9A (0.46) RAB9ATAS1R3TAS1R1TAS1R2NPC1
SCHEMBL6085615 0.76 RAB9A (0.46) RAB9ATAS1R3TAS1R1TAS1R2NPC1
SCHEMBL6084781 0.76 TAS1R3 (0.57) RAB9ATAS1R3TAS1R1TAS1R2NPC1
SCHEMBL1124270 0.75 NR1H2 (0.72) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 RAB9A 1751/4885TAS1R3 2103/4885TAS1R1 2022/4885

“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.