SCHEMBL13616391

SCHEMBL13616391

CNCC(=O)NC(C(C)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.44
TACR3 P29371 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL16316559 0.86 TACR3 (0.44) GPR139TACR3LMNAPOLBSLC6A3
SCHEMBL15443129 0.83 LMNA (0.51) TACR3LMNAPOLBTSHRMTNR1A
SCHEMBL16317174 0.83 LMNA (0.51) TACR3LMNAPOLBTSHRMTNR1A
SCHEMBL2628429 0.80 ASAH1 (0.46) TACR3ALDH1A1MAPT
SCHEMBL25807093 0.79 GPR139 (0.67) GPR139ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL13616392 0.79 MEN1 (0.43) TACR3LMNAPOLBTSHRMTNR1A
SCHEMBL13050111 0.78 TACR3 (0.48) TACR3LMNAPOLBTSHRMTNR1A
SCHEMBL890060 0.78 TACR3 (0.48) TACR3POLBMTNR1AMTNR1BALDH1A1
SCHEMBL5744468 0.78 TACR3 (0.48) TACR3POLBMTNR1AMTNR1BALDH1A1
SCHEMBL18610229 0.78 TACR3 (0.48) TACR3POLBMTNR1AMTNR1BALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275749-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE PIPERAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 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-20090275749-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE PIPERAZINE COMPOUND CYP51A1, CYP4Z1, CYP4A11 GPR139 1918/4885TACR3 2755/4885LMNA 3512/4885

“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.