SCHEMBL4121817

SCHEMBL4121817

C/N=C1\C(=O)N(C)CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
HRH1 P35367 2/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CES1 P23141 1/20 0.40
SETD7 Q8WTS6 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 2/20 0.39
SRD5A1 P18405 1/20 0.39
DRD3 P35462 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL4121819 1.00 GRM5 (0.43) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4109748 0.86 GRM5 (0.43) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4109746 0.86 GRM5 (0.43) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4130789 0.84 GRM5 (0.42) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4130787 0.84 GRM5 (0.42) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4130794 0.84 GRM5 (0.42) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4117332 0.83 GRM5 (0.41) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4127636 0.83 MEN1 (0.43) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4127633 0.83 MEN1 (0.43) GRM5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4117337 0.83 GRM5 (0.41) GRM5HTR2AHTR2CHTR2BSIGMAR1

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 GRM5 1154/4885HTR2A 428/4885HTR2C 337/4885

“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.