SCHEMBL42714

SCHEMBL42714

c1ccc(CCCN2CC[N]CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.75
POLB P06746 1/20 0.64
LTA4H P09960 1/20 0.62
CCR3 P51677 1/20 0.59

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
SCHEMBL2096501 0.95 SIGMAR1 (0.69) SIGMAR1POLBCCR3
SCHEMBL2097491 0.93 SIGMAR1 (0.66) SIGMAR1POLBLTA4HCCR3
SCHEMBL2089113 0.93 SIGMAR1 (0.72) SIGMAR1POLBCCR3
SCHEMBL2099250 0.93 SIGMAR1 (0.72) SIGMAR1POLBCCR3
SCHEMBL662989 0.89 SLC6A3 (0.68) SIGMAR1CCR3
SCHEMBL2093251 0.89 SIGMAR1 (0.71) SIGMAR1LTA4HCCR3
SCHEMBL2097395 0.87 SIGMAR1 (0.73) SIGMAR1LTA4HCCR3
SCHEMBL2093478 0.87 SIGMAR1 (0.73) SIGMAR1LTA4HCCR3
SCHEMBL2962629 0.86 SIGMAR1 (1.00) SIGMAR1POLBLTA4HCCR3
SCHEMBL6550825 0.86 SIGMAR1 (1.00) SIGMAR1POLBLTA4HCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576941-B1 N-benzoylamino acid derivatives, pharmaceutical compositions containing them and process for preparing same NISSHIN FLOUR MILLING CO (JP) 1997-09-03 EP claimed
EP-0576941-A1 N-benzoylamino acid derivatives, pharmaceutical compositions containing them and process for preparing same NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-01-05 EP 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
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-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
EP-0058779-B1 CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
EP-0058779-A2 Carboxamides, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1982-09-01 EP 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 SIGMAR1 3525/4885POLB 3062/4885LTA4H 927/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B SIGMAR1 502/4885POLB 3251/4885LTA4H 1747/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN SIGMAR1 711/4885POLB 3578/4885LTA4H 458/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT SIGMAR1 3525/4885POLB 3062/4885LTA4H 927/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B SIGMAR1 502/4885POLB 3251/4885LTA4H 1747/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B SIGMAR1 502/4885POLB 3251/4885LTA4H 1747/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT SIGMAR1 3525/4885POLB 3062/4885LTA4H 927/4885

“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.