SCHEMBL5110312

SCHEMBL5110312

Cc1cccc(CCCC#N)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TAAR1 Q96RJ0 2/20 0.53
HRH3 Q9Y5N1 1/20 0.45
IDO1 P14902 2/20 0.43
CTSB P07858 2/20 0.41
DAO P14920 3/20 0.41
FDPS P14324 1/20 0.40
SLC5A2 P31639 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 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
Dimethylamine SCHEMBL9870859 0.95 MEN1 (0.52) MEN1KMT2ATAAR1HRH3IDO1
SCHEMBL8361121 0.95 MEN1 (0.55) MEN1KMT2ATAAR1HRH3IDO1
SCHEMBL6557766 0.89 MEN1 (0.73) MEN1KMT2ATAAR1HRH3IDO1
SCHEMBL8099771 0.82 TAAR1 (0.68) TAAR1HRH3IDO1DAOFDPS
SCHEMBL8092500 0.82 TAAR1 (0.68) TAAR1HRH3IDO1DAOFDPS
SCHEMBL6083770 0.81 TAAR1 (0.53) TAAR1HRH3IDO1DAOFDPS
SCHEMBL1610656 0.81 TAAR1 (0.53) TAAR1HRH3IDO1DAOFDPS
SCHEMBL8086943 0.80 TAAR1 (0.65) TAAR1HRH3IDO1DAOFDPS
SCHEMBL8092438 0.80 TAAR1 (0.65) TAAR1HRH3IDO1DAOFDPS
SCHEMBL8093918 0.80 TAAR1 (0.65) TAAR1HRH3IDO1DAOFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384974-B2 4,5-dihydronaphtho[1,2-b]thiophene derivative TAISHA PHARMACEUTICAL CO., LTD. (JP) 2008-06-10 US disclosed
US-20060189678-A1 effective in reducing triglyceride levels in the liver and reducing blood glucose levels TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1650202-A1 4,5-DIHYDRONAPHTHO [1,2-b] THIOPHENE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-04-26 EP disclosed
EP-0500653-A4 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST INC (US) 1995-08-23 EP disclosed
EP-0500653-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1991006548-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST, INC. (US) 1991-05-16 WO disclosed
US-5008265-A 2-amino-7-(alicyclomethyl)-3H,5H,-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1991-04-16 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-20060189678-A1 effective in reducing triglyceride levels in the liver and reducing blood glucose levels LIPC, PNLIP, MTTP MEN1 4114/4885KMT2A 1781/4885TAAR1 705/4885

“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.