SCHEMBL6085779

SCHEMBL6085779

O=C(NC1CCC2(CCCCC2)C1)c1cnc2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTK2 Q05397 1/20 0.42

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
SCHEMBL6084329 0.82 CNR1 (0.60) SMN1; SMN2NPC1RAB9ACNR1ALDH1A1
SCHEMBL6083987 0.82 CNR1 (0.60) SMN1; SMN2NPC1RAB9ACNR1ALDH1A1
SCHEMBL6084495 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6205464 0.81 CNR1 (0.58) SMN1; SMN2NPC1RAB9ACNR1ALDH1A1
SCHEMBL19701371 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6083629 0.75 RAB9A (0.53) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6083620 0.75 RAB9A (0.53) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6085524 0.75 RAB9A (0.53) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21490057 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6084148 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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-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 GRM5 5/4885SMN1; SMN2 332/4885NPC1 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.