SCHEMBL7005876

SCHEMBL7005876

O=C(OCc1ccccc1)N1Cc2ccc(Br)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 17/20 0.63
SIGMAR1 Q99720 17/20 0.63
HRH1 P35367 5/20 0.63
HRH3 Q9Y5N1 5/20 0.63
HRH2 P25021 4/20 0.63
HTR1A P08908 3/20 0.63
ADRA2C P18825 2/20 0.63
ADRA2A P08913 2/20 0.63
ADRA2B P18089 2/20 0.63
HTR2A P28223 2/20 0.63
HTR2C P28335 2/20 0.63
HTR2B P41595 2/20 0.63
DRD1 P21728 1/20 0.63
HTR1B P28222 1/20 0.63
HTR1E P28566 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRB1 P08588 1/20 0.55
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
ABHD6 Q9BV23 1/20 0.52

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
SCHEMBL31129893 1.00 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL30031624 0.90 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL14101174 0.90 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL18530311 0.90 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21800358 0.86 TMEM97 (0.52) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21800344 0.86 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324086 0.85 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1027341 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1506610 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1017246 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11414435-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-08-16 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
US-20200317698-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
EP-3623369-A1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2020-03-18 EP disclosed
US-20150224125-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US disclosed
US-9040504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2015-05-26 US disclosed
WO-2014110442-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-07-17 WO disclosed
US-20140194386-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-10 US disclosed
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 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 (6 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 TMEM97 4357/4885SIGMAR1 4247/4885HRH1 54/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 TMEM97 4195/4885SIGMAR1 4238/4885HRH1 75/4885
US-20200317698-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-20140194386-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-20150224125-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-11414435-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885

“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.