SCHEMBL41854

SCHEMBL41854

Cc1ccccc1C(C)(C)[NH]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ACHE P22303 2/20 0.45
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASR P41180 1/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CYP3A4 P08684 1/20 0.35
CHRM3 P20309 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 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
SCHEMBL9681573 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL5046947 0.79 TSHR (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL19468131 0.78 TSHR (0.50) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL30337376 0.78 TSHR (0.50) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL542212 0.78 GABRA1 (0.58) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL30407772 0.78 GABRA1 (0.58) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL5496813 0.78 GABRA1 (0.58) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL1945388 0.78 TSHR (0.50) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL8784146 0.78 TSHR (0.50) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL9504908 0.77 TSHR (0.43) TSHRACHEGABRA1GABRB2ALDH1A1

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 38 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
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP 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-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
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 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 TSHR 4856/4885ACHE 18/4885GABRA1 1867/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B TSHR 552/4885ACHE 98/4885GABRA1 417/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B TSHR 650/4885ACHE 3697/4885GABRA1 129/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B TSHR 431/4885ACHE 4560/4885GABRA1 172/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN TSHR 4256/4885ACHE 362/4885GABRA1 539/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B TSHR 352/4885ACHE 4686/4885GABRA1 276/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT TSHR 4856/4885ACHE 18/4885GABRA1 1867/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TSHR 552/4885ACHE 98/4885GABRA1 417/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B TSHR 552/4885ACHE 98/4885GABRA1 417/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B TSHR 650/4885ACHE 3697/4885GABRA1 129/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TSHR 552/4885ACHE 98/4885GABRA1 417/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT TSHR 4856/4885ACHE 18/4885GABRA1 1867/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B TSHR 304/4885ACHE 4295/4885GABRA1 264/4885

“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.