SCHEMBL370796

SCHEMBL370796

COc1ccc(Cn2ncc3c2N(Cc2ccccc2)CCCC3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.50
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
P2RX7 Q99572 1/20 0.43
CLPP Q16740 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCHR1 Q99705 1/20 0.42
NR3C1 P04150 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL15130248 0.87 GRIN1 (0.44) NPBWR1SMN1; SMN2GAAMCHR1
SCHEMBL15130302 0.85 NPBWR1 (0.42) NPBWR1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL18258722 0.85 CASP3 (0.44)
SCHEMBL15130262 0.85 NPBWR1 (0.44) NPBWR1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL15130201 0.84 SMN1; SMN2 (0.48) NPBWR1HTTSMN1; SMN2
SCHEMBL16243115 0.83 NPBWR1 (0.39) NPBWR1GAAP2RX7MCHR1
SCHEMBL15303455 0.81 ALDH1A1 (0.43) NPBWR1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL15130305 0.80 POLB (0.42) NPBWR1GAAMCHR1
SCHEMBL367029 0.80 SIGMAR1 (0.45) SIGMAR1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL15130160 0.80 NPBWR1 (0.49) NPBWR1SIGMAR1KMT2ANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 US disclosed
EP-2592932-B1 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2016-01-20 EP disclosed
US-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-10-10 US disclosed
EP-2592932-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-22 EP disclosed
WO-2012009001-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO 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-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRIK4 NPBWR1 578/4885SIGMAR1 325/4885MEN1 4017/4885

“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.