SCHEMBL3828646

SCHEMBL3828646

O=C1COCCN1C1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.41
PARP1 P09874 1/20 0.37
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CD O00329 2/20 0.31
TACR1 P25103 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL4283864 0.84 F10 (0.33) CYP2C19ALDH1A1F10PIK3CDTACR1
SCHEMBL29865291 0.82 F10 (0.38) KMT2AF10PIK3CDTACR1
SCHEMBL15972321 0.79 DGAT1 (0.38) CYP2C19ALDH1A1KMT2AF10L3MBTL1
SCHEMBL4292957 0.79 F10 (0.35) CYP2C19ALDH1A1F10PIK3CDTACR1
SCHEMBL474942 0.79 CYP2C19 (0.46) CYP2C19ALDH1A1PARP1KMT2ALMNA
SCHEMBL7886958 0.78 MEN1 (0.39) CYP2C19ALDH1A1KMT2AF10L3MBTL1
SCHEMBL3152070 0.77 CYP2C19 (0.41) CYP2C19ALDH1A1PARP1KMT2AF10
SCHEMBL4282289 0.76 F10 (0.35) F10PIK3CDTACR1
SCHEMBL4475218 0.76 F10 (0.35) F10PIK3CD
SCHEMBL1976258 0.75 F10 (0.35) ALDH1A1PARP1KMT2AF10PIK3CD

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 EP disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 EP disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 US disclosed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 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 (3 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 CYP2C19 351/4885ALDH1A1 1952/4885PARP1 1618/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP2C19 19/4885ALDH1A1 388/4885PARP1 3523/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP2C19 19/4885ALDH1A1 388/4885PARP1 3523/4885

“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.