SCHEMBL42480

SCHEMBL42480

Oc1nc2ccccc2n1C1CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CYP11B2 P19099 2/20 0.43
BRD4 O60885 1/20 0.43
RPS6KB1 P23443 4/20 0.42
ROCK1 Q13464 4/20 0.42
PRKACA P17612 3/20 0.40
GSK3B P49841 3/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
OGFRL1 Q5TC84 5/20 0.40
LMNA P02545 2/20 0.40
OPRL1 P41146 1/20 0.39
CYP11B1 P15538 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13071424 0.87 TP53 (0.60) TP53RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL9876669 0.83 TP53 (0.46) TP53CYP11B2BRD4RPS6KB1ROCK1
SCHEMBL4919026 0.77 OPRM1 (0.44) TP53CYP11B2RPS6KB1ROCK1OPRM1
SCHEMBL4917592 0.75 HDAC3 (0.56) TP53OGFRL1HDAC3HDAC1HDAC10
SCHEMBL4915657 0.72 OGFRL1 (0.43) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL4909486 0.72 CYP1A2 (0.51) TP53OPRM1OPRD1OPRK1OGFRL1
SCHEMBL9673866 0.69 CCR5 (0.60) TP53CYP11B2RPS6KB1ROCK1LMNA
SCHEMBL29406440 0.69 CYP11B2 (0.51) TP53CYP11B2RPS6KB1ROCK1PRKACA
SCHEMBL22612126 0.69 CYP11B2 (0.51) TP53CYP11B2RPS6KB1ROCK1PRKACA
SCHEMBL2635863 0.69 SMN1; SMN2 (0.53) TP53CYP11B2RPS6KB1ROCK1PRKACA

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 34 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
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
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-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. 2009-07-02 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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 TP53 3579/4885CYP11B2 2250/4885BRD4 2112/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B TP53 2365/4885CYP11B2 1404/4885BRD4 2456/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B TP53 4812/4885CYP11B2 1494/4885BRD4 3364/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B TP53 3882/4885CYP11B2 1228/4885BRD4 2893/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN TP53 4873/4885CYP11B2 2492/4885BRD4 2630/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B TP53 4058/4885CYP11B2 837/4885BRD4 2136/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT TP53 3579/4885CYP11B2 2250/4885BRD4 2112/4885
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS GABBR1, GABBR2, ALAD TP53 4832/4885CYP11B2 433/4885BRD4 4380/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TP53 2365/4885CYP11B2 1404/4885BRD4 2456/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B TP53 2365/4885CYP11B2 1404/4885BRD4 2456/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B TP53 4812/4885CYP11B2 1494/4885BRD4 3364/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TP53 2365/4885CYP11B2 1404/4885BRD4 2456/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT TP53 3579/4885CYP11B2 2250/4885BRD4 2112/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B TP53 4107/4885CYP11B2 1398/4885BRD4 2572/4885

“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.