SCHEMBL6924028

SCHEMBL6924028

Cc1ccc2ccc(C#N)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.61
CYP1A2 P05177 2/20 0.61
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.48
ITK Q08881 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
AR P10275 2/20 0.42
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 2/20 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
SCHEMBL1104942 0.94 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1TDP1ITK
SCHEMBL806471 0.93 CYP2A6 (0.59) CYP2A6CYP1A2ALDH1A1TDP1ITK
SCHEMBL18852193 0.88 CYP2A6 (0.52) CYP2A6CYP1A2ALDH1A1TDP1ITK
SCHEMBL1341822 0.86 CYP2A6 (0.52) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL29489123 0.86 CYP2A6 (0.52) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL811007 0.80 CYP11B1 (0.51) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL13074509 0.79 CYP2A6 (0.50) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL811121 0.78 CYP11B1 (0.50) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1344485 0.78 CYP2A6 (0.54) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL29489119 0.78 CYP2A6 (0.54) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8268990-A None JP disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
WO-2021135725-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-02-13 US disclosed
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed
EP-0936215-A1 PROCESS FOR PREPARING 2-PHENYL-3-NAPHTHYLPROPIONIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
JP-H08268990-A PRODUCTION OF 7-METHYL-2-NAPHTHALENECARBONITRILE DAI ICHI SEIYAKU CO LTD 1996-10-15 JP disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
CN-1072677-A Aromatic amidine derivative and salt thereof DAIICHI SEIYAKU CO (JP) 1993-06-02 CN disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 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 (6 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 CYP2A6 1430/4885CYP1A2 572/4885ALDH1A1 1739/4885
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 CYP2A6 151/4885CYP1A2 15/4885ALDH1A1 18/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 CYP2A6 1601/4885CYP1A2 1023/4885ALDH1A1 2931/4885
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 CYP2A6 818/4885CYP1A2 500/4885ALDH1A1 319/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 CYP2A6 818/4885CYP1A2 500/4885ALDH1A1 319/4885
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CYP2A6 1105/4885CYP1A2 38/4885ALDH1A1 91/4885

“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.