SCHEMBL4120510

SCHEMBL4120510

CCOC(=O)C1(c2ccccc2CCNC)SCCCS1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 3/20 0.38
OPRM1 P35372 5/20 0.36
POLB P06746 1/20 0.35
HDAC4 P56524 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
OPRD1 P41143 3/20 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
SCHEMBL4122334 0.76 TAAR1 (0.39) SMN1; SMN2TAAR1OPRM1HDAC4LMNA
SCHEMBL11488090 0.69 OPRM1 (0.56) SMN1; SMN2OPRM1LMNAMEN1KMT2A
SCHEMBL4132647 0.65 TSHR (0.45) SMN1; SMN2TAAR1LMNAGAAMEN1
SCHEMBL7277882 0.64 KDM4E (0.46) SMN1; SMN2OPRM1POLBLMNAGAA
SCHEMBL4122309 0.64 TSHR (0.42) SMN1; SMN2TAAR1LMNAGAAMEN1
SCHEMBL4110223 0.62 SMN1; SMN2 (0.42) SMN1; SMN2TAAR1LMNAGAAMEN1
SCHEMBL4122272 0.62 SMN1; SMN2 (0.42) SMN1; SMN2TAAR1LMNAGAAMEN1
SCHEMBL4132628 0.62 TAAR1 (0.41) SMN1; SMN2TAAR1LMNAGAAMEN1
SCHEMBL4110227 0.62 SMN1; SMN2 (0.42) SMN1; SMN2TAAR1LMNAGAAMEN1
SCHEMBL3053777 0.62 TAAR1 (0.61) TAAR1LMNAMEN1ALDH1A1ALOX15

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 SMN1; SMN2 3973/4885TAAR1 2171/4885OPRM1 2846/4885

“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.