SCHEMBL2774890

SCHEMBL2774890

CC(C)(C)c1ccc(CN2CC[N]CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.51
▸ TEAD1 P28347 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIGMAR1 Q99720 4/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44

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
SCHEMBL1044315 0.87 KCNH2 (0.58) KCNH2TEAD1LMNANR1I2ADORA3
SCHEMBL10212101 0.83 HRH3 (0.65) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL797985 0.83 ALDH1A1 (0.59) KCNH2LMNANR1I2ADORA3CNR1
SCHEMBL2097422 0.82 KDM4E (0.69) KDM4EALDH1A1SIGMAR1POLB
SCHEMBL12666600 0.81 HRH3 (0.69) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL270997 0.81 HRH3 (0.69) KCNH2MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7407307 0.80 HRH3 (0.67) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL978708 0.80 KCNH2 (0.52) KCNH2TEAD1LMNANR1I2ADORA3
SCHEMBL270535 0.80 LMNA (0.62) KCNH2LMNANR1I2ADORA3CNR1
SCHEMBL17470847 0.80 ALDH1A1 (0.65) KCNH2TEAD1LMNANR1I2ADORA3

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO 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-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-2007109098-A2 HYDROXY AND KETO-SUBSTITUTED β-LACTAMYL ALKANEDIOIC ACIDS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 — — WO disclosed
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS 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-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 KCNH2 1343/4885TEAD1 4846/4885LMNA 451/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B KCNH2 2661/4885TEAD1 4204/4885LMNA 1342/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B KCNH2 318/4885TEAD1 4530/4885LMNA 1556/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B KCNH2 586/4885TEAD1 3651/4885LMNA 1201/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN KCNH2 2138/4885TEAD1 3466/4885LMNA 2483/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B KCNH2 551/4885TEAD1 3784/4885LMNA 1259/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT KCNH2 1343/4885TEAD1 4846/4885LMNA 451/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B KCNH2 2661/4885TEAD1 4204/4885LMNA 1342/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B KCNH2 2661/4885TEAD1 4204/4885LMNA 1342/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B KCNH2 318/4885TEAD1 4530/4885LMNA 1556/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B KCNH2 2661/4885TEAD1 4204/4885LMNA 1342/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT KCNH2 1343/4885TEAD1 4846/4885LMNA 451/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B KCNH2 508/4885TEAD1 4225/4885LMNA 1214/4885

“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.

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