SCHEMBL2326795

SCHEMBL2326795

CC(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.64
SLC6A3 Q01959 2/20 0.64
SLC6A4 P31645 2/20 0.56
IDO1 P14902 3/20 0.44
ACACB O00763 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
ADRB2 P07550 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
AGXT P21549 2/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL45200 0.89 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4TAAR1CYP2A6
SCHEMBL764989 0.82 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL8322312 0.79 SLC6A4 (0.61) SLC6A2SLC6A3SLC6A4IDO1TAAR1
SCHEMBL3037011 0.78 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4IDO1ACACB
SCHEMBL2325993 0.78 GFER (0.46) SLC6A2SLC6A3TAAR1ADRB2LMNA
SCHEMBL4158699 0.78 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4IDO1ACACB
SCHEMBL2329406 0.78 TAAR1 (0.61) SLC6A2TAAR1
SCHEMBL22229845 0.78 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4TAAR1CYP2A6
SCHEMBL4010409 0.78 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4IDO1ACACB
SCHEMBL9773345 0.78 TRPA1 (0.55) SLC6A2SLC6A3IDO1TAAR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
EP-1829883-B1 ORGANIC BISMUTH COMPOUND, METHOD FOR PRODUCING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER USING SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-08-17 EP disclosed
US-7847043-B2 Organic bismuth compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2010-12-07 US disclosed
US-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer OTSUKA CHEMICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1829883-A1 ORGANIC BISMUTH COMPOUND, METHOD FOR PRODUCING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER USING SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2007-09-05 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-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer DOHH, COASY, ODC1 SLC6A2 4158/4885SLC6A3 4586/4885SLC6A4 4140/4885

“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.