SCHEMBL9903683

SCHEMBL9903683

O=C(c1cc2ncc(C#Cc3ccccc3)cn2n1)N1CCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TDP1 Q9NUW8 2/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GRM5 P41594 11/20 0.52
ESR2 Q92731 4/20 0.48
TSHR P16473 1/20 0.48
ESR1 P03372 3/20 0.47
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL9903414 1.00 ALDH1A1 (0.62) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9902687 0.99 ALDH1A1 (0.60) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9903488 0.89 ESR2 (0.64) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9903475 0.89 GRM5 (0.49) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9902740 0.88 GRM5 (0.47) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9903441 0.88 GRM5 (0.54) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9903451 0.86 SCD5 (0.47) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9903490 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL20467338 0.82 ALDH1A1 (0.66) ALDH1A1TDP1MAPTGAAHPGD
SCHEMBL9903778 0.81 GRM5 (0.48) ALDH1A1TDP1MAPTGAAHPGD

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 ALDH1A1 3284/4885TDP1 3476/4885MAPT 1014/4885

“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.