SCHEMBL3686209

SCHEMBL3686209

O=C1NCC2(CCCNC2)CO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP3A4 P08684 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHEK1 O14757 1/20 0.30
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 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
SCHEMBL31459870 0.89 CRBN (0.32)
SCHEMBL3682432 0.81
SCHEMBL341826 0.79 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP3A4HSD17B10TSHR
SCHEMBL27469585 0.78
Hydrochloric Acid SCHEMBL29891818 0.78 ALDH1A1 (0.30) ALDH1A1HSD17B10HPGD
SCHEMBL3676748 0.75 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP3A4HSD17B10CYP1A2
SCHEMBL27064690 0.72 CYP3A4 (0.38) ALDH1A1CYP2D6CYP3A4HSD17B10CYP1A2
SCHEMBL16600593 0.72 CYP3A4 (0.38) ALDH1A1CYP2D6CYP3A4HSD17B10CYP1A2
SCHEMBL5427817 0.71 CYP2C9 (0.35) ALDH1A1CYP2D6CYP3A4HSD17B10CYP1A2
SCHEMBL22981778 0.69 MGLL (0.34) SIGMAR1

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-20110065916-A1 METHOD OF MAKING IMIDAZOAZEPINONE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-17 US disclosed
EP-2211616-A1 METHOD OF MAKING IMIDAZOAZEPINONE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2010-08-04 EP disclosed
WO-2009070305-A1 METHOD OF MAKING IMIDAZOAZEPINONE COMPOUNDS EISAI E & D MANAGEMENT CO., LTD. (JP) 2009-06-04 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-20110065916-A1 METHOD OF MAKING IMIDAZOAZEPINONE COMPOUNDS CYP2C19, CYP3A7, CYP2C18 ALDH1A1 377/4885CYP2D6 12/4885CYP3A4 13/4885

“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.