SCHEMBL2777830

SCHEMBL2777830

[NH][C@@H]1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
PDPK1 O15530 1/20 0.50
CYP11B2 P19099 2/20 0.47
RET P07949 1/20 0.43
HTR2A P28223 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP19A1 P11511 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR6 P50406 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL42663 1.00 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL2777539 1.00 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL1705439 0.86 IDO1 (0.53) IDO1PDPK1
SCHEMBL1735441 0.86 IDO1 (0.53) IDO1PDPK1
SCHEMBL1735423 0.86 IDO1 (0.53) IDO1PDPK1
SCHEMBL11671198 0.75 SRD5A1 (0.55) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL9179507 0.75 HTR2A (0.52) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL11569221 0.74 PLAU (0.52) IDO1PDPK1
SCHEMBL10633202 0.73 IDO1 (0.52) IDO1PDPK1CYP11B2RETHTR2A
Magnesium SCHEMBL31510119 0.73 SRD5A1 (0.53) IDO1PDPK1CYP11B2RETHTR2A

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 22 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
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-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS INC (US) 2019-04-04 US disclosed
US-9987265-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2018-06-05 US disclosed
US-9802925-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-20170174670-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-9376424-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2016-06-28 US disclosed
US-20130109666-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2013-05-02 US disclosed
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-5827827-A MIMETIC OLIGOPEPTIDE CONTAINING A 1-EPOXY ETHYLENE GROUP REPLACING AN AMIDE PEPTIDE LINKAGE IN THE BACKBONE; SIDE EFFECT REDUCTION, VIRUS DOES NOT DEVELOP DRUG RESISTANCE THE SCRIPPS RESEARCH INSTITUTE (US) 1998-10-27 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 IDO1 3872/4885PDPK1 3215/4885CYP11B2 2250/4885
US-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN IDO1 4709/4885PDPK1 3568/4885CYP11B2 2492/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885PDPK1 1812/4885CYP11B2 1404/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN IDO1 4709/4885PDPK1 3568/4885CYP11B2 2492/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 IDO1 1086/4885PDPK1 2012/4885CYP11B2 2189/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885PDPK1 3215/4885CYP11B2 2250/4885
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS GABBR1, GABBR2, ALAD IDO1 2345/4885PDPK1 3000/4885CYP11B2 433/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885PDPK1 1812/4885CYP11B2 1404/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885PDPK1 1812/4885CYP11B2 1404/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885PDPK1 1812/4885CYP11B2 1404/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT IDO1 3872/4885PDPK1 3215/4885CYP11B2 2250/4885
US-20130109666-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN IDO1 4709/4885PDPK1 3568/4885CYP11B2 2492/4885
US-20170174670-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885PDPK1 1812/4885CYP11B2 1404/4885
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN IDO1 4709/4885PDPK1 3568/4885CYP11B2 2492/4885

“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.