SCHEMBL4127726

SCHEMBL4127726

CCOC(=O)C(SCC)(SCC)c1ccccc1CCNC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
THRB P10828 1/20 0.37
PIN1 Q13526 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MMP8 P22894 1/20 0.35
ATM Q13315 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4132628 0.80 TAAR1 (0.41) TAAR1LMNAL3MBTL1ALDH1A1RECQL
SCHEMBL4110290 0.75 MAPT (0.40) LMNAALDH1A1RECQLPIN1MMP8
SCHEMBL4132647 0.68 TSHR (0.45) TAAR1LMNAALDH1A1CYP4F2CYP4A11
SCHEMBL2909758 0.66 TAAR1 (0.55) TAAR1LMNAL3MBTL1ALDH1A1ATM
SCHEMBL4122309 0.66 TSHR (0.42) TAAR1LMNAALDH1A1CYP4F2CYP4A11
SCHEMBL793549 0.66 CNR1 (0.53) ALDH1A1KDM4EEPHX2KMT2A
SCHEMBL13840655 0.65 TAAR1 (0.58) TAAR1L3MBTL1ALDH1A1ATMKDM4E
SCHEMBL4115917 0.65 TAAR1 (0.43) TAAR1LMNAALDH1A1ATMMTNR1A
SCHEMBL8979073 0.65 PIN1 (0.46) TAAR1LMNAALDH1A1RECQLPIN1
SCHEMBL4122334 0.64 TAAR1 (0.39) TAAR1LMNAALDH1A1RECQLCYP4F2

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 2171/4885LMNA 1030/4885L3MBTL1 4853/4885

“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.