SCHEMBL15308564

SCHEMBL15308564

CCCN(C)Cc1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
CALM1 P0DP23 1/20 0.56
CAMKK2 Q96RR4 1/20 0.56
AOC3 Q16853 1/20 0.55
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.49
TAAR1 Q96RJ0 3/20 0.49
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 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
SCHEMBL27419663 0.89 ACHE (0.64) BCHEACHECALM1CAMKK2AOC3
SCHEMBL15790970 0.89 BCHE (0.56) BCHEACHECALM1CAMKK2AOC3
SCHEMBL1134084 0.88 KMT2A (0.61) BCHEACHECALM1CAMKK2AOC3
SCHEMBL4526554 0.86 CALM1 (0.55) BCHEACHECALM1CAMKK2AOC3
SCHEMBL12992872 0.85 BCHE (0.60) BCHEACHECALM1CAMKK2AOC3
SCHEMBL30093216 0.84 CALM1 (0.60) BCHEACHECALM1CAMKK2AOC3
SCHEMBL18714774 0.83 CHRM2 (0.62) BCHEACHECALM1CAMKK2AOC3
SCHEMBL23507393 0.82 GRIN2D (0.51) BCHEACHECALM1TSHRALDH1A1
SCHEMBL9416597 0.81 ACHE (0.59) BCHEACHECALM1CAMKK2AOC3
SCHEMBL850832 0.80 CALM1 (0.64) BCHEACHECALM1CAMKK2AOC3

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 2 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
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

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 BCHE 669/4885ACHE 839/4885CALM1 1254/4885

“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.