SCHEMBL14903644

SCHEMBL14903644

c1cc2c(s1)CCOC2CN1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
TAAR1 Q96RJ0 8/20 0.54
DRD3 P35462 2/20 0.40
DRD2 P14416 2/20 0.37
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
PNMT P11086 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
SCHEMBL20964168 1.00 KEAP1 (0.57) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL12644548 0.88 KEAP1 (0.60) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL12645105 0.88 TAAR1 (0.63) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL12645106 0.88 TAAR1 (0.63) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL2039739 0.88 TAAR1 (0.63) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL14903632 0.87 KEAP1 (0.59) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL14903635 0.87 TAAR1 (0.62) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL14903634 0.87 TAAR1 (0.62) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL16021893 0.87 KEAP1 (0.59) KEAP1TAAR1DRD3DRD2OPRD1
SCHEMBL12644319 0.87 TAAR1 (0.62) KEAP1TAAR1DRD3DRD2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220062229-A1 METHODS OF TREATING SCHIZOPHRENIA SUNOVION PHARMACEUTICALS INC. (US) 2022-03-03 US disclosed
US-11129807-B2 Methods of treating schizophrenia SUNOVION PHARMACEUTICALS INC. (US) 2021-09-28 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-10-15 US disclosed
US-20200129477-A1 METHODS OF TREATING SCHIZOPHRENIA SUNOVION PHARMACEUTICALS INC. (US) 2020-04-30 US disclosed
US-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-05-02 US disclosed
EP-3252057-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2017-12-06 EP disclosed
EP-2507245-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2017-04-12 EP disclosed
US-9351954-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-31 US disclosed
US-9351954-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-31 US disclosed
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PGI DRUG DISCOVERY LLC. 2016-03-24 US disclosed
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PGI DRUG DISCOVERY LLC. 2016-03-24 US disclosed
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof PSYCHOGENICS INC. (US) 2014-09-11 US disclosed
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof PSYCHOGENICS INC. (US) 2014-09-11 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US 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 (10 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-20190125722-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20220062229-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KEAP1 1889/4885TAAR1 755/4885DRD3 595/4885
US-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20160083399-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT KEAP1 507/4885TAAR1 2272/4885DRD3 478/4885
US-20200129477-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KEAP1 1889/4885TAAR1 755/4885DRD3 595/4885
US-11129807-B2 Methods of treating schizophrenia CHAT, GAP43, GRIN2A KEAP1 1889/4885TAAR1 755/4885DRD3 595/4885

“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.