SCHEMBL991601

SCHEMBL991601

CC1CCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.76
TRPC3 Q13507 5/20 0.62
TRPC6 Q9Y210 5/20 0.62
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
HSD11B1 P28845 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
SCHEMBL990806 0.86 GRM5 (1.00) GRM5TRPC3TRPC6SMN1; SMN2
SCHEMBL990293 0.85 GRM5 (0.71) GRM5TRPC3TRPC6MAPT
SCHEMBL991476 0.80 GRM5 (1.00) GRM5TRPC3TRPC6KMT2A
SCHEMBL989517 0.78 GRM5 (0.66) GRM5TRPC3TRPC6MAPT
SCHEMBL20460496 0.78 HSD11B1 (0.51) GRM5TRPC3TRPC6SMN1; SMN2HSD11B1
SCHEMBL990784 0.76 KMT2A (0.57) GRM5TRPC3TRPC6KMT2A
SCHEMBL22840143 0.74 ACHE (0.51) GRM5TRPC3TRPC6SMN1; SMN2HSD11B1
SCHEMBL991659 0.73 MAPT (0.59) GRM5KMT2ASMN1; SMN2MAPT
SCHEMBL154347 0.72 ALDH1A1 (0.71) GRM5KMT2ASMN1; SMN2MAPTHSD11B1
SCHEMBL11837576 0.71 ALOX5 (0.69) KMT2ASMN1; SMN2MAPT

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 8 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
CN-101535265-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2009-09-16 CN disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
CN-101321731-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2008-12-10 CN 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 GRM5 1/4885TRPC3 771/4885TRPC6 739/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885TRPC3 760/4885TRPC6 831/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885TRPC3 1237/4885TRPC6 1122/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885TRPC3 760/4885TRPC6 831/4885

“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.