SCHEMBL3619200

SCHEMBL3619200

BrC[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.63
MAOB P27338 10/20 0.63
HTR2B P41595 6/20 0.63
HTR2A P28223 4/20 0.63
MAOA P21397 7/20 0.48
KDM1A O60341 5/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2B6 P20813 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL16388354 1.00 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL3614739 1.00 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL3614757 1.00 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL20208616 0.88 KDM1A (0.55) HTR2CMAOBHTR2BHTR2AKDM1A
SCHEMBL21480337 0.88 KDM1A (0.55) HTR2CMAOBHTR2BHTR2AKDM1A
SCHEMBL23562775 0.77 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL6585775 0.77 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL4129782 0.77 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL4144327 0.77 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL9043644 0.77 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO disclosed
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 WO 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
EP-0445013-B1 C-cycloalkyl-alkylamines, process for their preparation, their use as therapeutic agents and intermediates for their synthesis JOUVEINAL SA (FR) 1994-06-08 EP disclosed
US-5089639-A N-CYCLOALKYLALKYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT AND THEIR SYNTHESIS INTERMEDIATES JOUVEINAL S.A. (FR) 1992-02-18 US disclosed
EP-0446097-A1 Substituted etylamines, process for their preparation, their use as therapeutic agents and intermediates for their synthesis JOUVEINAL S.A. (FR) 1991-09-11 EP disclosed
EP-0445013-A1 C-cycloalkyl-alkylamines, process for their preparation, their use as therapeutic agents and intermediates for their synthesis JOUVEINAL S.A. (FR) 1991-09-04 EP disclosed
US-5034419-A Psychological disorders or gastrointestinal disorders L'OREAL (FR) 1991-07-23 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 (2 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 HTR2C 4365/4885MAOB 1764/4885HTR2B 3091/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 HTR2C 2891/4885MAOB 1989/4885HTR2B 3027/4885

“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.