SCHEMBL3635014

SCHEMBL3635014

CC(C)(C)c1n[nH]cc1CNc1ccc(-c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.39
CCNE1 P24864 6/20 0.38
CDK2 P24941 6/20 0.38
CDK5 Q00535 4/20 0.38
NTRK1 P04629 1/20 0.37
AXL P30530 1/20 0.36
HIF1A Q16665 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3633809 0.87 METAP2 (0.40) TRPV1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3640679 0.82 MAOB (0.40) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL4914520 0.81 TRPV1 (0.52) TRPV1
SCHEMBL3636356 0.81 KDM4E (0.41) CYP1A2CYP2D6CYP2C9CYP3A4MAOA
SCHEMBL3635086 0.80 LMNA (0.38) MAOAMAOB
SCHEMBL3638896 0.78 HTT (0.44) CCNE1CDK2
SCHEMBL3635509 0.78 CACNA1B (0.43) MAOAMAOB
SCHEMBL3633027 0.77 PRMT6 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL3634678 0.77 MEN1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19CCNE1
SCHEMBL3636895 0.77 LMNA (0.40) CCNE1CDK2NTRK1

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 TRPV1 164/4885CYP1A2 1751/4885CYP2D6 2691/4885

“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.