SCHEMBL6419902

SCHEMBL6419902

NC(=O)C1CNc2ccccc2N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMYD3 Q9H7B4 1/20 0.35
TACR2 P21452 1/20 0.35
KCNH2 Q12809 2/20 0.35
SCN3A Q9NY46 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CREBBP Q92793 3/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
EPHX2 P34913 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
IDO1 P14902 1/20 0.33
BRD4 O60885 3/20 0.33
EP300 Q09472 1/20 0.33

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
Hydrochloric Acid SCHEMBL6646772 0.98 GAA (0.42) GAAMAPTSMYD3TACR2KCNH2
SCHEMBL29036196 0.85 MAPT (0.46) GAAMAPTSMYD3MTNR1AMTNR1B
SCHEMBL6186463 0.83 MAPT (0.58) GAAMAPTMTNR1AMTNR1BHPGD
SCHEMBL27498585 0.79 MAPT (0.41) GAAMAPTSMYD3MTNR1AMTNR1B
SCHEMBL18955109 0.77 BACE1 (0.44) GAAMAPTMTNR1AMTNR1BEGFR
SCHEMBL8563386 0.77 GAA (0.40) GAAMAPTSMYD3KCNH2MTNR1A
SCHEMBL8563383 0.77 GAA (0.40) GAAMAPTSMYD3KCNH2MTNR1A
SCHEMBL8563390 0.77 GAA (0.40) GAAMAPTSMYD3KCNH2MTNR1A
SCHEMBL26783406 0.77 GAA (0.40) GAAMAPTMTNR1AMTNR1BCREBBP
SCHEMBL26784580 0.77 GAA (0.44) GAAMAPTMTNR1AMTNR1BCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 WO disclosed
WO-2014008214-A1 BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS BIOGEN IDEC MA INC. (US) 2014-01-09 WO disclosed
US-20050004130-A1 New metabotropic glutamate receptor compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2005-01-06 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-20050004130-A1 New metabotropic glutamate receptor compounds GRM1, GRIN1, GRM2 GAA 3711/4885MAPT 1438/4885SMYD3 3531/4885

“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.