SCHEMBL6084376

SCHEMBL6084376

C[C@H]1CC[C@H](NC(=O)c2nccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
CNR2 P34972 5/20 0.49
CNR1 P21554 2/20 0.46
CD38 P28907 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
GRM5 P41594 1/20 0.45
TP53 P04637 1/20 0.44
ACKR3 P25106 1/20 0.44

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
SCHEMBL6084369 1.00 KAT2B (0.56) KAT2BRAB9ANPC1CNR2CNR1
SCHEMBL19701302 0.87 RAB9A (0.51) RAB9ACNR2CHRNB2CHRNA7CHRNA4
SCHEMBL23575920 0.87 RAB9A (0.51) RAB9ACNR2CHRNB2CHRNA7CHRNA4
SCHEMBL22449379 0.86 HIF1A (0.56) RAB9ANPC1ACKR3
SCHEMBL23575894 0.83 SMYD3 (0.61) RAB9ACHRNB2CHRNA7CHRNA4
SCHEMBL19701301 0.83 SMYD3 (0.61) RAB9ACHRNB2CHRNA7CHRNA4
SCHEMBL7391725 0.80 ALDH1A1 (0.63) CHRNB2CHRNA4
SCHEMBL3125620 0.80 RAB9A (0.49) RAB9ANPC1CNR2CNR1CHRNB2
SCHEMBL7399990 0.78 HTR3A (0.64) CHRNB2CHRNA4
SCHEMBL14428750 0.77 CHRNB2 (0.46) RAB9ACHRNB2CHRNA7CHRNA4ACKR3

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-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
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
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO 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 KAT2B 1940/4885RAB9A 1751/4885NPC1 559/4885

“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.