SCHEMBL990784

SCHEMBL990784

O=C(c1ccc(Nc2ccc(Cl)cc2)nn1)N1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
GAA P10253 3/20 0.57
MEN1 O00255 3/20 0.57
GRM5 P41594 1/20 0.57
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.49
MDM2 Q00987 1/20 0.48
TRPC3 Q13507 1/20 0.48
TRPC6 Q9Y210 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47

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
SCHEMBL990293 0.80 GRM5 (0.71) GRM5TRPC3TRPC6NPC1RAB9A
SCHEMBL991601 0.76 GRM5 (0.76) KMT2AGRM5TRPC3TRPC6
SCHEMBL989517 0.73 GRM5 (0.66) GRM5TRPC3TRPC6
SCHEMBL990806 0.72 GRM5 (1.00) GRM5POLBTRPC3TRPC6L3MBTL1
SCHEMBL23413148 0.72 POLB (0.55) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL991659 0.71 MAPT (0.59) KMT2AGAAMEN1GRM5ALDH1A1
SCHEMBL29887515 0.70 SMN1; SMN2 (0.61) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL28685030 0.70 KMT2A (0.66) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL23412994 0.70 SMN1; SMN2 (0.61) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL14021191 0.70 CAMK2D (0.52) KMT2AGAAMEN1POLBPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US claimed
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 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 (4 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-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KMT2A 1101/4885GAA 3737/4885MEN1 4664/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 1058/4885GAA 3989/4885MEN1 4674/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 KMT2A 2663/4885GAA 684/4885MEN1 2366/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 1058/4885GAA 3989/4885MEN1 4674/4885

“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.