SCHEMBL8358409

SCHEMBL8358409

COc1ccc(C)c2ccoc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 6/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 7/20 0.45
CYP3A4 P08684 6/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNA3 P22001 5/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38

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
SCHEMBL28125752 0.85 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL806499 0.84 ALDH1A1 (0.43) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL789045 0.78 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL24715944 0.78 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL1747096 0.78 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL31120928 0.78 CYP1A2 (0.39) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL806473 0.78 CYP1A2 (0.39) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL15298767 0.78 ALDH1A1 (0.35) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL2992833 0.74 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL2122119 0.74 IMPDH2 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A

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 10 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-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
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-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
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US disclosed
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US disclosed
WO-2003041711-A1 PIPERAZINE BIS-AMIDE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF THE OREXIN RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-22 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 (3 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 ALDH1A1 1739/4885HPGD 1039/4885LMNA 258/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 ALDH1A1 2931/4885HPGD 789/4885LMNA 1124/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH ALDH1A1 2027/4885HPGD 318/4885LMNA 437/4885

“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.