SCHEMBL797695

SCHEMBL797695

CC(C)[Si](C(C)C)(C(C)C)n1c(C#N)cc2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 1/20 0.32
SLC6A2 P23975 1/20 0.31

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
SCHEMBL15280185 0.84 MAOA (0.35) HTR2AHTR2C
SCHEMBL444430 0.78 HTR2A (0.39) HTR2AHTR2CMCL1SMN1; SMN2PDE4B
SCHEMBL15298771 0.75 HTR2A (0.34) HTR2AHTR2C
SCHEMBL796128 0.74 MCL1 (0.50) HTR2AHTR2CMCL1SMN1; SMN2
SCHEMBL30967900 0.67 HTR2A (0.50) HTR2AHTR2CMCL1PDE4BSLC6A2
SCHEMBL413823 0.67 HTR2A (0.50) HTR2AHTR2CMCL1PDE4BSLC6A2
SCHEMBL20740595 0.67 CYP11B2 (0.34) MCL1
SCHEMBL447125 0.66 HTR2A (0.39) HTR2AHTR2CMCL1SMN1; SMN2PDE4B
SCHEMBL31444672 0.63 HDAC8 (0.43) HTR2AHTR2CMCL1SMN1; SMN2SLC6A2
SCHEMBL22152183 0.61 HTR2A (0.35) HTR2AHTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-09-10 US disclosed
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-31 US disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
US-10064879-B2 Method for treating depression and/or depression status with substituted quinoxaline compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-04 US disclosed
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-20160058757-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMA CO LTD (JP) 2016-03-03 US disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
EP-2616460-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. Otsuka Pharmaceutical Co., Ltd. (JP) 2013-07-24 EP disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C HTR2A 32/4885HTR2C 5/4885MCL1 1941/4885
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH HTR2A 45/4885HTR2C 8/4885MCL1 3798/4885
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 HTR2A 58/4885HTR2C 46/4885MCL1 3914/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 HTR2A 58/4885HTR2C 46/4885MCL1 3914/4885
US-20160058757-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 HTR2A 54/4885HTR2C 44/4885MCL1 4035/4885
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine MC2R, PNMT, SLC6A2 HTR2A 44/4885HTR2C 20/4885MCL1 4080/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH HTR2A 45/4885HTR2C 8/4885MCL1 3798/4885
US-10064879-B2 Method for treating depression and/or depression status with substituted quinoxaline compounds KYNU, CRH, CHRM1 HTR2A 52/4885HTR2C 8/4885MCL1 2274/4885

“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.