SCHEMBL6181884

SCHEMBL6181884

Clc1ccc(COC(Cl)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.63
CHRNA4 P43681 1/20 0.63
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
IDO1 P14902 4/20 0.44
AGXT P21549 2/20 0.44
TDO2 P48775 2/20 0.43
TACR1 P25103 1/20 0.42
SCN4A P35499 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
INPPL1 O15357 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
SCHEMBL547986 0.88 SLC6A2 (0.47) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL28528002 0.84 CHRNB2 (0.45) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL28531540 0.84 CHRNB2 (0.45) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL28534097 0.84 CHRNB2 (0.45) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL28505841 0.83 CHRNB2 (0.65) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL9129333 0.80 CHRNB2 (0.61) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL28531048 0.77 EPHX1 (0.47) CHRNB2CHRNA4SLC6A4
SCHEMBL20837528 0.76 CHRNB2 (0.56) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL11100448 0.76 SLC6A2 (0.56) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL19156028 0.74 CHRNB2 (0.91) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3

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
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO 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 (3 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG CHRNB2 3066/4885CHRNA4 1564/4885SLC6A2 2988/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG CHRNB2 3066/4885CHRNA4 1564/4885SLC6A2 2988/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG CHRNB2 3066/4885CHRNA4 1564/4885SLC6A2 2988/4885

“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.