SCHEMBL6085186

SCHEMBL6085186

O=C(N[C@H]1CCCc2ccccc21)c1cnc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.60
CNR2 P34972 2/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TAS1R3 Q7RTX0 5/20 0.55
TAS1R1 Q7RTX1 5/20 0.55
TAS1R2 Q8TE23 5/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL10246983 0.85 ALDH1A1 (0.48) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL3388821 0.82 POLB (0.67) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL3395171 0.82 POLB (0.67) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL6084180 0.81 NPC1 (0.49) POLB
SCHEMBL6636985 0.81 ALDH1A1 (0.64) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL29563786 0.80 HTT (0.65) HTTALDH1A1TSHRKDM4ETAS1R3
SCHEMBL8476669 0.80 P2RX7 (0.51) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL30278603 0.80 HTT (0.61) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL29572713 0.80 HTT (0.61) CNR1CNR2HTTALDH1A1TSHR
SCHEMBL28557216 0.80 HTT (0.61) CNR1CNR2HTTALDH1A1TSHR

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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US claimed
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 claimed
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
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 CNR1 91/4885CNR2 123/4885HTT 338/4885

“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.