SCHEMBL632665

SCHEMBL632665

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2C P28335 3/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
IP6K1 Q92551 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DRD2 P14416 2/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL633066 0.84 TAAR1 (0.38) TAAR1
SCHEMBL633029 0.84 LSS (0.33) TAAR1KCNH2
SCHEMBL8213868 0.74 TAAR1 (0.64) TAAR1
SCHEMBL30206446 0.73 CRHBP (0.46) HTR7
SCHEMBL631732 0.71 TAAR1 (0.39) TAAR1IP6K1
SCHEMBL632483 0.71 DHFR (0.37) TAAR1IP6K1
SCHEMBL631848 0.71 PRKCI (0.41) HTR2C
SCHEMBL633219 0.70 TAAR1 (0.36) TAAR1
SCHEMBL632664 0.69 BCDIN3D (0.37) HTR2C
SCHEMBL633166 0.69 TRPM5 (0.34) TAAR1IP6K1

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 HTR7 78/4885TAAR1 419/4885KCNH2 1328/4885

“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.