SCHEMBL43459

SCHEMBL43459

c1csc(CCN2CC[N]CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP2C19 P33261 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC22A1 O15245 1/20 0.40
ABCB1 P08183 1/20 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
SCHEMBL10469619 0.84 HRH3 (0.55) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL9279775 0.82 HRH3 (0.54) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL1037058 0.82 HTT (0.66) HTTALDH1A1SIGMAR1DRD4DRD3
SCHEMBL9275661 0.82 HRH3 (0.54) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL5256238 0.81 HTT (0.69) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL3615427 0.80 TAAR1 (0.52) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL14824943 0.79 HRH3 (0.48) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL593083 0.79 HRH3 (0.48) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL15866341 0.79 OPRM1 (0.45) HRH3HTTTAAR1ALDH1A1SIGMAR1
SCHEMBL8563268 0.78 HRH3 (0.47) HRH3HTTTAAR1ALDH1A1SIGMAR1

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
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-10364236-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS INC (US) 2019-04-04 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
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
WO-2007109098-A2 HYDROXY AND KETO-SUBSTITUTED β-LACTAMYL ALKANEDIOIC ACIDS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO 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
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 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 (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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT HRH3 2982/4885HTT 1042/4885TAAR1 3840/4885
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN HRH3 1824/4885HTT 1298/4885TAAR1 399/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B HRH3 246/4885HTT 1/4885TAAR1 173/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B HRH3 360/4885HTT 3774/4885TAAR1 458/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B HRH3 453/4885HTT 2538/4885TAAR1 736/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN HRH3 1824/4885HTT 1298/4885TAAR1 399/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B HRH3 226/4885HTT 2533/4885TAAR1 818/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT HRH3 2982/4885HTT 1042/4885TAAR1 3840/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B HRH3 246/4885HTT 1/4885TAAR1 173/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B HRH3 246/4885HTT 1/4885TAAR1 173/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B HRH3 246/4885HTT 1/4885TAAR1 173/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT HRH3 2982/4885HTT 1042/4885TAAR1 3840/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B HRH3 546/4885HTT 2247/4885TAAR1 745/4885

“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.