SCHEMBL4122275

SCHEMBL4122275

CCCN=C(C(=O)O)c1ccccc1CCNC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
CLCN2 P51788 1/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 2/20 0.36
FOLH1 Q04609 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRB2 P07550 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 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
SCHEMBL5069857 0.83 TAAR1 (0.44) TAAR1CLCN2ATMHTTFOLH1
SCHEMBL5067930 0.82 TAAR1 (0.42) TAAR1CLCN2ATMHTTFOLH1
SCHEMBL4115922 0.79 TAAR1 (0.38) TAAR1CLCN2ATMHTTFOLH1
SCHEMBL5069994 0.76 TAAR1 (0.49) TAAR1CLCN2ATMHTTFOLH1
SCHEMBL11526125 0.76 FOLH1 (0.59) TAAR1CLCN2ATMHTTFOLH1
SCHEMBL11525146 0.75 FOLH1 (0.54) TAAR1CLCN2ATMHTTFOLH1
Hydrochloric Acid SCHEMBL28502672 0.75 FOLH1 (0.58) TAAR1CLCN2ATMHTTFOLH1
SCHEMBL4117318 0.73 SMN1; SMN2 (0.42) TAAR1ATMHTTTSHRALDH1A1
SCHEMBL4117315 0.73 SMN1; SMN2 (0.42) TAAR1ATMHTTTSHRALDH1A1
SCHEMBL5069856 0.72 HTR2A (0.38) TAAR1CLCN2HTTFOLH1ALDH1A1

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 2 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

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 2171/4885CLCN2 731/4885ATM 2148/4885

“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.