SCHEMBL4122334

SCHEMBL4122334

CCOC(=O)C1(c2ccccc2CCNC)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
OPRM1 P35372 4/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
GRM1 Q13255 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL4120510 0.76 SMN1; SMN2 (0.38) TAAR1SMN1; SMN2LMNAALDH1A1CYP4F2
SCHEMBL4114518 0.76 MAPT (0.40) SMN1; SMN2LMNAALDH1A1CTDSP1GLA
SCHEMBL699648 0.74 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL23396980 0.73 OPRM1 (0.52) SMN1; SMN2OPRM1CTDSP1OPRD1OPRK1
SCHEMBL4132647 0.67 TSHR (0.45) TAAR1SMN1; SMN2LMNAALDH1A1CYP4F2
SCHEMBL15194585 0.67 THRA (0.41) CYP4F2CYP4A11
SCHEMBL699709 0.65 MEN1 (0.41) LMNAOPRM1OPRD1OPRK1SLC22A1
SCHEMBL4122309 0.65 TSHR (0.42) TAAR1SMN1; SMN2LMNAALDH1A1CYP4F2
SCHEMBL4127726 0.64 TAAR1 (0.42) TAAR1SMN1; SMN2LMNAALDH1A1CYP4F2
SCHEMBL20592807 0.64 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1OPRM1OPRD1

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-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 US disclosed
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 EP 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-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 TAAR1 2171/4885SMN1; SMN2 3973/4885LMNA 1030/4885

“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.