SCHEMBL12221508

SCHEMBL12221508

COCCN(C)c1n[nH]cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ SLC9A5 Q14940 1/20 0.33
▸ GRM4 Q14833 4/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ CTH P32929 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12221483 0.80 LMNA (0.31) ALDH1A1
SCHEMBL16882342 0.80 CTH (0.34) KCNQ3KCNQ2SLC9A5GRM4MAPK1
SCHEMBL12221408 0.75 ALDH1A1 (0.31) KDM4EALDH1A1
SCHEMBL12221530 0.73 HCAR2 (0.39) —
SCHEMBL14803705 0.72 GRM4 (0.41) GRM4KDM4EALDH1A1
SCHEMBL12221454 0.70 LMNA (0.32) —
SCHEMBL25613115 0.69 ULK1 (0.35) KCNQ3KCNQ2GRM4
SCHEMBL12221518 0.66 CA1 (0.32) KDM4EALDH1A1
SCHEMBL29833097 0.66 KCNH2 (0.34) CTH
SCHEMBL12221495 0.65 HCAR2 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 — — US disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 — — US disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 — — 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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 KCNQ3 805/4885KCNQ2 810/4885SLC9A5 857/4885

“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.

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