SCHEMBL2093367

SCHEMBL2093367

CCCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57
TST Q16762 1/20 0.57

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
SCHEMBL924516 1.00 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL2615716 1.00 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL13798097 1.00 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9347785 0.98 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9349090 0.98 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9349203 0.98 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL2089930 0.98 TAAR1 (0.55) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9352104 0.96 TAAR1 (0.53) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL10382742 0.94 MAOB (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL10381425 0.94 MAOB (0.56) FAAHESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-9920061-B2 Imidazo[1,5-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2018-03-20 US disclosed
US-9840510-B1 Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2017-12-12 US disclosed
US-8318952-B2 Substituted indole derivatives for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
EP-2481732-A1 Condensed ring compound and use thereof Ono Pharmaceutical Co., Ltd. (JP) 2012-08-01 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 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 (10 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-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF CYSLTR2, CYSLTR1, LTB4R2 FAAH 1358/4885ESR1 3539/4885ADRA2A 353/4885
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX FAAH 3839/4885ESR1 332/4885ADRA2A 2947/4885
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME GAP43, NCDN, NLN FAAH 658/4885ESR1 2704/4885ADRA2A 310/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 FAAH 3448/4885ESR1 1871/4885ADRA2A 583/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN FAAH 658/4885ESR1 2704/4885ADRA2A 310/4885
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK FAAH 4185/4885ESR1 2691/4885ADRA2A 1819/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX FAAH 3839/4885ESR1 332/4885ADRA2A 2947/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 FAAH 3336/4885ESR1 4245/4885ADRA2A 4474/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 FAAH 1553/4885ESR1 1837/4885ADRA2A 1953/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 FAAH 1553/4885ESR1 1837/4885ADRA2A 1953/4885

“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.