SCHEMBL6084238

SCHEMBL6084238

O=C(NC1CC2CCC1C2)c1cnc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PANK3 Q9H999 1/20 0.46
ALOX15 P16050 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL6085079 1.00 HSD17B10 (0.53) HSD17B10SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL6084233 1.00 HSD17B10 (0.53) HSD17B10SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL6084283 0.81 SMN1; SMN2 (0.52) HSD17B10SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL19068509 0.78 PDGFRB (0.63) HSD17B10ALDH1A1KDM4E
SCHEMBL6083965 0.77 TAS1R3 (0.53) SMN1; SMN2ALDH1A1
SCHEMBL5256081 0.76 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL5260072 0.76 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL28746033 0.76 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL6205464 0.76 CNR1 (0.58) HSD17B10SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL31432388 0.75 HSD17B10 (0.50) HSD17B10SMN1; SMN2HPGDALDH1A1KDM4E

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 HSD17B10 2278/4885SMN1; SMN2 332/4885HPGD 1851/4885

“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.