SCHEMBL3635911

SCHEMBL3635911

CC(C)(C)c1n[nH]cc1CNc1ccc(-c2cnco2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.43
IMPDH1 P20839 1/20 0.43
PKM P14618 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PORCN Q9H237 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 2/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.36
PTK2 Q05397 2/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL3636633 0.87 HDAC1 (0.44) IMPDH2PORCNAAK1KMT2AMEN1
SCHEMBL4918266 0.81 NPC1 (0.44) IMPDH2IMPDH1PKMLMNAPORCN
SCHEMBL3637475 0.80 ROCK2 (0.41) CYP3A4CYP2D6AAK1GAAKDM4E
SCHEMBL3638027 0.80 MAPT (0.32) LMNAKMT2AMEN1GAAKDM4E
SCHEMBL3638896 0.77 HTT (0.44) LMNAKMT2AMEN1GAAKDM4E
SCHEMBL3636895 0.76 LMNA (0.40) LMNAKMT2AMEN1GAAKDM4E
SCHEMBL3634678 0.76 MEN1 (0.42) LMNACYP2D6KMT2AMEN1GAA
SCHEMBL3640679 0.76 MAOB (0.40) LMNACYP3A4KMT2AMEN1GAA
SCHEMBL3637131 0.75 GAA (0.47) LMNAKMT2AMEN1GAAKDM4E
SCHEMBL3635402 0.74 NPC1 (0.35) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 IMPDH2 2245/4885IMPDH1 3242/4885PKM 1866/4885

“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.