SCHEMBL631858

SCHEMBL631858

CC(C)N(c1ccccc1)c1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 4/20 0.34
CXCR4 P61073 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL631554 0.80 MAOA (0.55) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL631888 0.79 MAOA (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL631856 0.78 MAOA (0.49) ALDH1A1HTTMAPTMAOBMAOA
SCHEMBL632601 0.71 LMNA (0.44) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL632032 0.71 MAPT (0.44) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL631725 0.71 AGER (0.42) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL631815 0.71 MAPT (0.49) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL11476066 0.68 ALDH1A1 (0.53) ALDH1A1HTTMAPTKMT2ANPC1
SCHEMBL28633396 0.67 ALDH1A1 (0.55) ALDH1A1HTTMAPTKMT2ANPC1
SCHEMBL13094028 0.67 ALDH1A1 (0.55) ALDH1A1HTTMAPTKMT2ANPC1

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 ALDH1A1 631/4885HTT 780/4885MAPT 36/4885

“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.