SCHEMBL632664

SCHEMBL632664

NC(Cc1c[nH]cn1)c1cccc(C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.37
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NOS1 P29475 4/20 0.32
NOS2 P35228 2/20 0.32
PRKCI P41743 1/20 0.32
RXRA P19793 1/20 0.31
NOTUM Q6P988 1/20 0.30
HTR2C P28335 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL633028 0.84 GRIN2D (0.36) BCDIN3DGRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL30280698 0.77 GRIN2D (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL29582784 0.73 BCDIN3D (0.39) BCDIN3DHTR2C
SCHEMBL632202 0.71 PNMT (0.35) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL632482 0.71 DPP4 (0.37) BCDIN3DGRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL29337379 0.71 BCDIN3D (0.39) BCDIN3DPRKCIHTR2C
SCHEMBL13075556 0.71 SLC18A3 (0.42) BCDIN3DHTR2C
SCHEMBL631848 0.71 PRKCI (0.41) PRKCINOTUMHTR2C
SCHEMBL632665 0.69 HTR7 (0.35) HTR2C
SCHEMBL633066 0.69 TAAR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R BCDIN3D 885/4885GRIN1 290/4885GRIN2B 114/4885

“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.