SCHEMBL806283

SCHEMBL806283

Cc1ccc(F)c2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRG P48443 5/20 0.39
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
DRD4 P21917 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
ACHE P22303 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
ADRB2 P07550 4/20 0.33
ADRB1 P08588 3/20 0.33
TP53 P04637 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL13943179 0.95 RXRG (0.39) RXRGRXRARXRBDRD4NISCH
SCHEMBL5751415 0.87 HTR2A (0.39) ACHEHTR2ASLC6A4CYP1A2CYP2D6
SCHEMBL30977517 0.87 HTR2A (0.39) ACHEHTR2ASLC6A4CYP1A2CYP2D6
SCHEMBL5029748 0.84 DRD4 (0.42) RXRGRXRARXRBDRD4NISCH
SCHEMBL31598395 0.84 DRD4 (0.42) RXRGRXRARXRBDRD4NISCH
SCHEMBL29851805 0.78 RXRA (0.39) RXRGRXRARXRBDRD4NISCH
SCHEMBL19322587 0.78 RXRA (0.39) RXRGRXRARXRBDRD4NISCH
SCHEMBL19684825 0.74 HTR2C (0.41) HTR2AADRA2A
SCHEMBL14481407 0.74 CYP1A2 (0.38) RXRGRXRARXRBDRD4NISCH
SCHEMBL8432407 0.73 CYP1A2 (0.42) HTR2ASLC6A4KDM4ECYP1A2CYP2D6

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
WO-2019068772-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2019-04-11 WO disclosed
WO-2019034696-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed
WO-2019034697-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C RXRG 1373/4885RXRA 938/4885RXRB 1333/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH RXRG 2813/4885RXRA 2984/4885RXRB 3113/4885

“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.