SCHEMBL42419

SCHEMBL42419

CN(C)C(CN)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
ADRA1A P35348 2/20 0.50
HTR2A P28223 1/20 0.50
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 4/20 0.48
MAOA P21397 4/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 1/20 0.46
CYP2D6 P10635 2/20 0.45
OPRD1 P41143 3/20 0.45
MAOB P27338 6/20 0.45
CYP1A2 P05177 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
SCHEMBL4676268 1.00 OPRK1 (0.50) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
Hydrochloric Acid SCHEMBL27557899 0.98 SLC6A2 (0.48) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
Hydrochloric Acid SCHEMBL29408495 0.98 SLC6A2 (0.48) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
Hydrochloric Acid SCHEMBL29408473 0.98 SLC6A2 (0.48) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL6205912 0.84 OPRK1 (0.47) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL7318710 0.83 OPRK1 (0.50) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL7318705 0.83 OPRK1 (0.50) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL7324807 0.83 OPRK1 (0.50) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
Hydrochloric Acid SCHEMBL27290671 0.82 OPRK1 (0.48) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B
Hydrochloric Acid SCHEMBL27290669 0.82 OPRK1 (0.48) OPRK1SLC6A2SLC6A4SLC6A3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006585-A2 SYNTHESIS OF A POROUS AND/OR STRATIFIED STRUCTURE MANGANESE OXIDE ELSPER RUEDIGER (DE) 2007-01-18 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
CN-113683535-B Compound containing cyanoguanidine structure and preparation method and application thereof 中国药科大学 2022-08-30 CN disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
CN-113683535-A Compound containing cyanoguanidine structure and preparation method and application thereof 中国药科大学 2021-11-23 CN 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-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
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
CN-1086033-C Electrophotographic photosensitive member, and electrophotographic apparatus and device unit employing the same CANON KK (JP) 2002-06-05 CN disclosed
CN-1131285-A Electrophotographic method using photosensitive material MITA INDUSTRIAL CO LTD (JP) 1996-09-18 CN disclosed
CN-1079311-A Electrophtography photosensor and with the equipment and the unit of this photoreceptor CANON KK (JP) 1993-12-08 CN disclosed
US-4510082-A NONHABIT-FORMING ANALGESICS ELI LILLY AND COMPANY (US) 1985-04-09 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 (7 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 OPRK1 2211/4885SLC6A2 1728/4885SLC6A4 2460/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B OPRK1 78/4885SLC6A2 1029/4885SLC6A4 1046/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN OPRK1 83/4885SLC6A2 65/4885SLC6A4 77/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT OPRK1 2211/4885SLC6A2 1728/4885SLC6A4 2460/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B OPRK1 142/4885SLC6A2 144/4885SLC6A4 330/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B OPRK1 142/4885SLC6A2 144/4885SLC6A4 330/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT OPRK1 2211/4885SLC6A2 1728/4885SLC6A4 2460/4885

“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.