SCHEMBL631933

SCHEMBL631933

CCN(Cc1c[nH]cn1)c1ccc(N(CC)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
TSHR P16473 1/20 0.45
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CNR2 P34972 2/20 0.39
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C2 P08235 1/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIA2 P42262 1/20 0.36
DHFR P00374 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
SCHEMBL632702 0.85 CNR2 (0.48) TAAR1TSHRNR1H2NR1H3CNR2
SCHEMBL633000 0.81 GRIN2A (0.43) NR1H2NR1H3MAPTGRIN1GRIN2A
SCHEMBL632294 0.81 TRPM5 (0.50) TAAR1TSHRNR1H2NR1H3MAPT
SCHEMBL633148 0.81 NOX1 (0.52) TAAR1TSHRCNR2MAPTNPSR1
SCHEMBL631574 0.80 TAAR1 (0.46) TAAR1TSHRMAPTCRHBPCRHR2
SCHEMBL632206 0.79 ALDH1A1 (0.40) TAAR1CNR2MAPTDHFR
SCHEMBL631727 0.77 TAAR1 (0.57) TAAR1MAPT
SCHEMBL631935 0.76 S1PR1 (0.47) NR1H2NR1H3MAPT
SCHEMBL633125 0.76 CNR2 (0.42) CNR2
SCHEMBL631671 0.76 NR1H2 (0.42) TAAR1TSHRNR1H2NR1H3CNR2

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 3 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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R TAAR1 419/4885TSHR 2098/4885NR1H2 1517/4885

“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.