SCHEMBL9903451

SCHEMBL9903451

O=C(c1cc2ncc(C#Cc3ccccc3)cn2n1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ESR2 Q92731 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
SCD O00767 3/20 0.44
ESR1 P03372 2/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 6/20 0.43
F11 P03951 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9903441 0.90 GRM5 (0.54) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9902687 0.87 ALDH1A1 (0.60) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9903683 0.86 ALDH1A1 (0.62) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9903414 0.86 ALDH1A1 (0.62) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9903488 0.84 ESR2 (0.64) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9903475 0.84 GRM5 (0.49) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9902740 0.84 GRM5 (0.47) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9903490 0.82 ALDH1A1 (0.46) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL9903681 0.75 KIT (0.53) ALDH1A1POLBGRM5KDM4ENPC1
SCHEMBL9903347 0.75 GRM5 (0.49) ALDH1A1TDP1GAAMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 SCD5 853/4885ALDH1A1 3284/4885TDP1 3476/4885

“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.