SCHEMBL6715395

SCHEMBL6715395

CCC(C)Cc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MME P08473 2/20 0.41
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 11/20 0.36
OPRD1 P41143 8/20 0.36
OPRK1 P41145 8/20 0.36
OPRL1 P41146 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL14140173 1.00 DRD2 (0.43) DRD2DRD3TAAR1MMEMEN1
SCHEMBL18638022 0.82 DRD2 (0.42) DRD2DRD3TAAR1MMEMEN1
SCHEMBL22604467 0.82 DRD2 (0.42) DRD2DRD3TAAR1MMEMEN1
SCHEMBL13634509 0.81 DRD2 (0.44) DRD2DRD3TAAR1MMEMEN1
SCHEMBL680803 0.80
SCHEMBL8025772 0.80 DRD2 (0.49) DRD2DRD3TAAR1MMEMEN1
SCHEMBL8025775 0.80 DRD2 (0.49) DRD2DRD3TAAR1MMEMEN1
SCHEMBL15698411 0.79 TAAR1 (0.42) DRD2DRD3TAAR1MMEMEN1
SCHEMBL16185939 0.78 DRD2 (0.40) DRD2DRD3TAAR1MME
SCHEMBL6250063 0.78 DRD2 (0.40) DRD2DRD3TAAR1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101234329-A SiO2 granule surface molecule print adsorption agent and preparation thereof UNIV HUAZHONG SCIENCE TECH (CN) 2008-08-06 CN claimed
CN-100404127-C Artificial anitibody type composite photocatalyst and its prepn. method UNIV HUAZHONG SCIENCE TECH (CN) 2008-07-23 CN claimed
CN-1868580-A Artificial anitibody type composite photocatalyst and its prepn. method UNIV HUAZHONG SCIENCE TECH (CN) 2006-11-29 CN claimed
US-20170152242-A1 PYRAZINE DERIVATIVES TEIJIN PHARMA LIMITED (JP) 2017-06-01 US disclosed
CN-101234329-A SiO2 granule surface molecule print adsorption agent and preparation thereof UNIV HUAZHONG SCIENCE TECH (CN) 2008-08-06 CN disclosed
CN-100404127-C Artificial anitibody type composite photocatalyst and its prepn. method UNIV HUAZHONG SCIENCE TECH (CN) 2008-07-23 CN disclosed
CN-1868580-A Artificial anitibody type composite photocatalyst and its prepn. method UNIV HUAZHONG SCIENCE TECH (CN) 2006-11-29 CN disclosed
US-20040096664-A1 Optically active polythiophene aggregate and its preparation NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2004-05-20 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-20170152242-A1 PYRAZINE DERIVATIVES XDH, SLC5A2, SLC5A1 DRD2 4664/4885DRD3 4495/4885TAAR1 1785/4885

“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.