SCHEMBL6084096

SCHEMBL6084096

Cc1cc2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)nc2cc1C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.53
CNR1 P21554 3/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FAAH O00519 1/20 0.44
CNR2 P34972 5/20 0.44
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL29384020 0.82 SMN1; SMN2 (0.61) PABPC1CNR1ALDH1A1KDM4EHSD17B10
SCHEMBL659603 0.82 SMN1; SMN2 (0.61) PABPC1CNR1ALDH1A1KDM4EHSD17B10
SCHEMBL13556234 0.74 GAA (0.43) ALDH1A1CNR2TSHR
SCHEMBL1878473 0.74 SMN1; SMN2 (0.53) PABPC1CNR1ALDH1A1HSD17B10FAAH
SCHEMBL6083684 0.74 SMN1; SMN2 (0.56) PABPC1CNR1ALDH1A1HSD17B10FAAH
SCHEMBL1882082 0.72 GRM5 (0.53) ALDH1A1CNR2POLB
SCHEMBL2638097 0.70 NPC1 (0.56) PABPC1CNR1ALDH1A1KDM4EHSD17B10
SCHEMBL30634268 0.70 FAAH (0.61) PABPC1CNR1ALDH1A1KDM4EHSD17B10
SCHEMBL19321963 0.70 CNR2 (0.64) CNR1ALDH1A1KDM4EHSD17B10FAAH
SCHEMBL6084070 0.69 CNR2 (0.57) PABPC1CNR1ALDH1A1KDM4EHSD17B10

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 7 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
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
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 PABPC1 4137/4885CNR1 91/4885ALDH1A1 2532/4885

“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.