SCHEMBL357647

SCHEMBL357647

COCCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
AOC3 Q16853 1/20 0.47
MAOB P27338 3/20 0.43
IDO1 P14902 3/20 0.43
ALDH1A1 P00352 2/20 0.43
AGXT P21549 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MIF P14174 1/20 0.41
SLC6A2 P23975 2/20 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
SCHEMBL9269074 0.94 MAOB (0.53) TAAR1AOC3MAOBIDO1ALDH1A1
SCHEMBL1338713 0.87 NR3C1 (0.44) TAAR1AOC3MAOB
SCHEMBL3655884 0.86 KCNH2 (0.47) TAAR1AOC3MAOBALDH1A1KDM4E
SCHEMBL11959867 0.85 IGF1R (0.48) TAAR1AOC3KDM4EHTR3EHTR3B
SCHEMBL11959919 0.83 KCNH2 (0.49) TAAR1AOC3KDM4EHTR3EHTR3B
SCHEMBL9270819 0.81 MAOB (0.50) TAAR1AOC3MAOBKDM4ESLC6A2
SCHEMBL2412500 0.81 ADRB2 (0.42) TAAR1MAOBKDM4E
SCHEMBL11228865 0.80 TAAR1 (0.54) TAAR1AOC3MAOBIDO1AGXT
SCHEMBL12926311 0.80 MAOB (0.48) TAAR1MAOBALDH1A1KDM4E
SCHEMBL9270269 0.78 MAOB (0.47) TAAR1MAOBALDH1A1KDM4EKMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177601-B1 TLR-INDEPENDENT SMALL MOLECULE ADJUVANTS SCRIPPS RESEARCH INST (US) 2023-03-01 EP disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-8722942-B2 Method for producing biphenyl derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2014-05-13 US disclosed
EP-2075241-B1 METHOD FOR PRODUCING A BIPHENYL DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2013-09-25 EP disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100230634-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE Hayashi, Tamio (JP) 2010-09-16 US disclosed
EP-2075241-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2009-07-01 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (5 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 TAAR1 2082/4885AOC3 149/4885MAOB 274/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TAAR1 2082/4885AOC3 149/4885MAOB 274/4885
US-20100230634-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE CYP2E1, DDT, B2M TAAR1 4209/4885AOC3 1215/4885MAOB 1596/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TAAR1 1170/4885AOC3 826/4885MAOB 518/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TAAR1 2082/4885AOC3 149/4885MAOB 274/4885

“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.