SCHEMBL631661

SCHEMBL631661

c1ccc(NCC2OCCO2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNH3 Q9ULD8 2/20 0.40
DPP7 Q9UHL4 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
TAS2R38 P59533 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAN1B1 Q9UKM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL175818 0.77 NPC1 (0.56) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL18323545 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL632906 0.73 KCNH3 (0.68) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL24725079 0.72 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL5793778 0.72 KCNH3 (0.65) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL9684492 0.72 KCNH3 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10055002 0.71 CARM1 (0.57) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL10055063 0.71 CARM1 (0.57) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL18434523 0.71 CARM1 (0.57) SMN1; SMN2NPC1RAB9ACARM1PRMT6
SCHEMBL1722281 0.71 CARM1 (0.57) SMN1; SMN2NPC1RAB9ACARM1PRMT6

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 7 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
CN-101528710-B Aminomethyl-4-imidazoles HOFFMANN LA ROCHE 2012-11-07 CN disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
CN-101528710-A Aminomethyl-4-imidazoles HOFFMANN LA ROCHE (CH) 2009-09-09 CN 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 SMN1; SMN2 1921/4885NPC1 555/4885RAB9A 1976/4885

“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.