SCHEMBL169659

SCHEMBL169659

BrCC1(c2ccccc2)OCCO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOB P27338 7/20 0.34
MAOA P21397 4/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28170516 0.92 MAPK1 (0.41) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL9367601 0.88 MAPK1 (0.40) L3MBTL1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14559518 0.87 TSHR (0.37) L3MBTL1TSHRMAPK1SMN1; SMN2MAOB
SCHEMBL10852562 0.84 L3MBTL1 (0.37) L3MBTL1TSHRMAPK1SMN1; SMN2MAOA
SCHEMBL7390254 0.83 L3MBTL1 (0.45) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
Phosphine SCHEMBL9482786 0.82 L3MBTL1 (0.44) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL10853389 0.81 SLC6A2 (0.40) L3MBTL1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9367962 0.81 KDM4E (0.37) L3MBTL1TSHRMAPK1SMN1; SMN2TAAR1
SCHEMBL28604807 0.80 CHRNB2 (0.36) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2
SCHEMBL4783521 0.80 L3MBTL1 (0.43) L3MBTL1TSHRMAPK1SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234066-A Propiconazole-like compound and preparation method and application thereof 浙江工业大学 2021-08-10 CN disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
US-5290948-A Amination and cyclization to form aza sugars MCNEILAB, INC. (US) 1994-03-01 US disclosed
EP-0505540-A4 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF 1992-10-28 EP disclosed
EP-0505540-A1 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF MCNEILAB, INC. (US) 1992-09-30 EP disclosed
WO-1992005152-A2 PROCESS FOR PRODUCING POLYHYDROXYLATED PIPERIDINES AND PYRROLIDINES AND COMPOUNDS THEREOF MCNEILAB, INC. (US) 1992-04-02 WO disclosed
US-4160838-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4079062-A ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS JANSSEN PHARMACEUTICA N.V. (BE) 1978-03-14 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885TSHR 264/4885MAPK1 1708/4885

“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.