SCHEMBL723224

SCHEMBL723224

[NH]C1(c2ccccc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CYP2B6 P20813 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
PRCP P42785 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
DPP4 P27487 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL2775554 0.97 DPP4 (0.46) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL2777040 0.87 OPRM1 (0.44) OPRM1DPP4AKR1C1
SCHEMBL30078304 0.74 ESR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL30877914 0.74 ESR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL54982 0.74 ESR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL24157288 0.74 ESR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL28378542 0.74 ESR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL868923 0.74 SLC6A4 (0.50) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL30877902 0.74 ESR1 (0.58) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL7905293 0.73 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008034032-A2 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS AZEVAN PHARMACEUTICALS, INC. (US) 2008-03-20 WO claimed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
CN-116327950-A Use of a composition for the treatment of neuropsychiatric symptoms of neurodegenerative diseases 阿泽范药品公司 2023-06-27 CN disclosed
CN-116139282-A Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-05-23 CN disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
CN-106459021-B Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-04-07 CN disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
EP-2226326-A1 METHOD FOR PRODUCING ORGANIC ALKALI METAL COMPOUND AND METHOD FOR PRODUCING ORGANIC TRANSITION METAL COMPOUND Mitsui Chemicals, Inc. (JP) 2010-09-08 EP disclosed
US-7709547-B2 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. 2009-07-02 US disclosed
EP-1787809-B1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2008-08-13 EP disclosed
US-20070115326-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 US disclosed
EP-1787809-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate Fujifilm Corporation (JP) 2007-05-23 EP disclosed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US disclosed
US-3944552-A VULCANIZATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-03-16 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 (7 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT GRIN2D 495/4885GRIN3B 94/4885CYP2B6 4181/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN GRIN2D 79/4885GRIN3B 57/4885CYP2B6 4290/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 GRIN2D 292/4885GRIN3B 947/4885CYP2B6 1694/4885
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS GABBR1, GABBR2, ALAD GRIN2D 147/4885GRIN3B 302/4885CYP2B6 197/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B GRIN2D 208/4885GRIN3B 70/4885CYP2B6 4849/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B GRIN2D 208/4885GRIN3B 70/4885CYP2B6 4849/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT GRIN2D 495/4885GRIN3B 94/4885CYP2B6 4181/4885

“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.