SCHEMBL379928

SCHEMBL379928

Cc1cc(C#N)cc(C)c1CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
MCHR1 Q99705 1/20 0.33
ABCB1 P08183 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CETP P11597 1/20 0.32
GPR35 Q9HC97 2/20 0.32
NSD2 O96028 1/20 0.32
GLS O94925 1/20 0.31
EPAS1 Q99814 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL380793 0.80 HTR2C (0.39) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL15061430 0.79 GPR35 (0.42) GPR35NSD2
SCHEMBL18325638 0.78 HSD17B1 (0.38) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7233237 0.77 NSD2 (0.53) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL25363849 0.77 CACNA1G (0.36) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL320434 0.76 MEP1A (0.49) HTR2CSLC6A4CTSLCTSBCTSS
SCHEMBL16629778 0.75 GPR119 (0.38) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL1187327 0.74 ALDH1A1 (0.38) ABCB1ALDH1A1GLACETPGPR35
SCHEMBL5912950 0.74 ABCB1 (0.36) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL5912934 0.74 HTT (0.45) HTR2CSLC6A4MCHR1ABCB1ALDH1A1

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CACNA1G 1069/4885CACNA1B 522/4885CACNA1C 689/4885

“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.