SCHEMBL2774484

SCHEMBL2774484

CC[N]c1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
TAAR1 Q96RJ0 2/20 0.53
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
ACHE P22303 1/20 0.47
CYP3A4 P08684 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 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
SCHEMBL2090210 0.85 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10818541 0.79 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1971602 0.79 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17707284 0.79 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL917518 0.77 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
1,3-Dimethoxybenzene SCHEMBL27952551 0.76 MAPK1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10589542 0.75 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1485991 0.75 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5534468 0.75 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7047246 0.75 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
US-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 US claimed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US 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
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
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS INC (US) 2020-09-03 US disclosed
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use KOPPEL GARY A 2008-02-07 US disclosed
US-7268125-B2 β-lactamyl vasopressin V1a antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AZEVAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-7119083-B2 β-Lactamyl vasopressin V1a Antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 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 (13 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 HTR3E 2666/4885HTR3B 2610/4885HTR3A 1613/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT HTR3E 2085/4885HTR3B 1168/4885HTR3A 1625/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B HTR3E 113/4885HTR3B 52/4885HTR3A 80/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B HTR3E 800/4885HTR3B 909/4885HTR3A 422/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B HTR3E 807/4885HTR3B 813/4885HTR3A 304/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN HTR3E 661/4885HTR3B 202/4885HTR3A 524/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B HTR3E 353/4885HTR3B 363/4885HTR3A 134/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT HTR3E 2085/4885HTR3B 1168/4885HTR3A 1625/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B HTR3E 113/4885HTR3B 52/4885HTR3A 80/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B HTR3E 113/4885HTR3B 52/4885HTR3A 80/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B HTR3E 800/4885HTR3B 909/4885HTR3A 422/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT HTR3E 2085/4885HTR3B 1168/4885HTR3A 1625/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B HTR3E 857/4885HTR3B 730/4885HTR3A 482/4885

“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.