SCHEMBL8215904

SCHEMBL8215904

O=C1CCCN1c1cccc(NCc2cnc[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
GAA P10253 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGGT1B P53609 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 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
SCHEMBL10229144 0.81 ADRA1A (0.57) FNTAFNTBTAAR1PGGT1BADRA1A
SCHEMBL632583 0.78 GAA (0.50) GAAMEN1KMT2ANPC1TSHR
SCHEMBL3278560 0.77 GAA (0.57) GAAMEN1KMT2ANPC1TSHR
SCHEMBL27889772 0.76 PARP1 (0.53) TAAR1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10227186 0.76 TAAR1 (0.60) FNTAFNTBTAAR1PGGT1B
SCHEMBL8212011 0.76 TAAR1 (0.53) FNTAFNTBTAAR1ADRA1A
SCHEMBL14189437 0.74 TAAR1 (0.58) TAAR1
SCHEMBL3230248 0.74 LMNA (0.57) GAAMEN1KMT2ANPC1TSHR
SCHEMBL8214338 0.72 TAAR1 (0.55) FNTAFNTBTAAR1PGGT1BCYP3A4
SCHEMBL22797021 0.71 GAA (0.70) GAAMEN1KMT2ANPC1TSHR

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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US 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 FNTA 3287/4885FNTB 4182/4885GAA 418/4885

“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.