SCHEMBL4914813

SCHEMBL4914813

Cc1nc(-c2ccc(C(=O)NCc3c[nH]nc3C(C)(C)C)cc2)oc1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
MAPT P10636 6/20 0.43
POLB P06746 5/20 0.43
THRB P10828 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL3637697 0.83 PPARG (0.40) TP53MAPTUSP2
SCHEMBL4914529 0.80 ROCK2 (0.53)
SCHEMBL4918266 0.77 NPC1 (0.44) MAPT
SCHEMBL4914520 0.76 TRPV1 (0.52) POLB
SCHEMBL4915724 0.76 EPHX2 (0.39)
SCHEMBL3637485 0.75 PPARG (0.36) TP53MAPTTHRBUSP2
SCHEMBL505624 0.69 ALDH1A1 (0.61) TP53MAPTTHRB
SCHEMBL28986037 0.68 RAB9A (0.58) MAPTPOLB
SCHEMBL505227 0.67 RAB9A (0.53) POLB
SCHEMBL21805809 0.67 ALDH1A1 (0.59) MAPTPOLB

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-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
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 TP53 4848/4885MAPT 572/4885POLB 4225/4885

“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.