SCHEMBL806281

SCHEMBL806281

Cc1cc(F)cc2c1CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP3 Q96P20 5/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
LMNA P02545 1/20 0.30
CES1 P23141 2/20 0.30

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
SCHEMBL25508485 0.88 NOTUM (0.31)
Ethane SCHEMBL27539333 0.80 NLRP3 (0.33) MAPTNLRP3GRIN2DGRIN3BGRIN1
SCHEMBL4644733 0.79 MAOA (0.33) MEN1KMT2ANLRP3GRIN2DGRIN3B
SCHEMBL25513209 0.77 UGT2B17 (0.35)
SCHEMBL22361203 0.76 RAPGEF4 (0.44) MAPTMEN1KMT2ANLRP3NOS3
SCHEMBL23647865 0.76 CCNB2 (0.31) MAPTNPC1RAB9A
SCHEMBL8436954 0.76 BCL2L1 (0.42) MAPTMEN1KMT2ANLRP3NPC1
SCHEMBL29362523 0.74 MAOA (0.33) MEN1KMT2ACES1
SCHEMBL7792883 0.74 MAOA (0.33) MEN1KMT2ACES1
SCHEMBL24457965 0.74 PTGS2 (0.33) PTGS2

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-20240166629-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING BOEHRINGER INGELHEIM RCV GMBH & CO. KG (AT) 2024-05-23 US disclosed
WO-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed
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
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 (4 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 MAPT 3210/4885MEN1 672/4885KMT2A 342/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 MAPT 4334/4885MEN1 232/4885KMT2A 3263/4885
US-20240166629-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING STING1, IRF3, CGAS MAPT 4770/4885MEN1 3057/4885KMT2A 3466/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH MAPT 3586/4885MEN1 129/4885KMT2A 2315/4885

“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.