SCHEMBL1485141

SCHEMBL1485141

CNCC1Cc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.45
HTR2A P28223 6/20 0.44
HRH1 P35367 4/20 0.44
HTR2C P28335 3/20 0.44
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
CA2 P00918 1/20 0.43
AQP1 P29972 2/20 0.43
HTR6 P50406 1/20 0.41
DRD2 P14416 2/20 0.40
ADRA2A P08913 1/20 0.40
DRD4 P21917 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 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
SCHEMBL1485140 1.00 HRH3 (0.49) HRH3GPBAR1HTR2AHRH1HTR2C
SCHEMBL8036558 0.83 HRH3 (0.47) HRH3GPBAR1HTR2AHRH1HTR1A
SCHEMBL6921396 0.83 CA2 (0.62) HTR1AHTR1DCA2DRD2ADRA2A
SCHEMBL13181762 0.82 HRH3 (0.46) HRH3GPBAR1HTR2AHTR1AHTR1D
SCHEMBL11884680 0.82 CA2 (0.47) HRH3GPBAR1HTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6924157 0.81 CA2 (0.61) HTR1AHTR1DCA2DRD2ADRA2A
SCHEMBL8035957 0.80 DRD2 (0.53) HTR2ADRD2DRD4DRD3
SCHEMBL434338 0.79 HRH3 (0.49) HRH3GPBAR1HTR2ACA2DRD2
SCHEMBL434889 0.79 CA2 (0.44) HRH3GPBAR1HTR1AHTR1DCA2
SCHEMBL17753764 0.79 MTNR1A (0.65) GPBAR1CA2

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-3402799-B1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-05-04 EP disclosed
CN-108699077-B Heterocyclic compounds as RSV inhibitors 英安塔制药有限公司 2021-03-02 CN disclosed
US-10759816-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-20190040084-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARM INC (US) 2019-02-07 US disclosed
EP-3402799-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2018-11-21 EP disclosed
US-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-08-10 US disclosed
WO-2017123884-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2017-07-20 WO disclosed
EP-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-04-02 US disclosed
US-8673952-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2014-03-18 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 US disclosed
US-8263633-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-09-11 US disclosed
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 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 (8 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-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3R2 HRH3 3002/4885GPBAR1 957/4885HTR2A 3956/4885
US-20190040084-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 HRH3 503/4885GPBAR1 1374/4885HTR2A 3772/4885
US-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 HRH3 503/4885GPBAR1 1374/4885HTR2A 3772/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 HRH3 1234/4885GPBAR1 1771/4885HTR2A 4062/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 HRH3 1068/4885GPBAR1 1175/4885HTR2A 1246/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 HRH3 1234/4885GPBAR1 1771/4885HTR2A 4062/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HRH3 1068/4885GPBAR1 1175/4885HTR2A 1246/4885
US-10759816-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 HRH3 503/4885GPBAR1 1374/4885HTR2A 3772/4885

“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.