SCHEMBL745207

SCHEMBL745207

COC(Cc1ccccc1)C(N)[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ANPEP P15144 2/20 0.44
CYP2D6 P10635 1/20 0.44
LAP3 P28838 2/20 0.42
SCN4A P35499 2/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL1996836 0.83 SLC6A4 (0.56) TAAR1SLC6A4CYP2D6
SCHEMBL6636645 0.78 CSNK1E (0.44) EPHX1SLC6A2TAAR1MAOASLC6A4
L-Phenylalaninol SCHEMBL9733120 0.73 EPHX1 (0.64) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4950924 0.72 EPHX1 (0.62) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1056062 0.72 EPHX1 (0.62) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4950704 0.72 EPHX1 (0.62) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL479459 0.72 EPHX1 (0.62) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1695172 0.72 SLC1A3 (0.49) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2488884 0.72 SLC6A2 (0.52) EPHX1SLC6A2TAAR1MAOASLC6A4
L-Phenylalaninol SCHEMBL5967085 0.72 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
EP-3116897-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-03-02 EP disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 US disclosed
EP-3414247-B1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10618897-B2 Spiroindolinones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-04-14 US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-03-07 US disclosed
EP-3414247-A1 SPIROINDOLINONES AS DDR1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-19 EP disclosed
WO-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-6861529-B2 Cycloalkylpyrrole-3-carboxylic acid amide derivatives and heterocycloalkylpyrrole-3-carboxylic acid amide derivatives that bind with high affinity to the benzodiazepine site of GABA-A (gamma-aminobutyric acid) receptors PFIZER INC (US) 2005-03-01 US disclosed
EP-1506779-A1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20050026917-A1 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-02-03 US disclosed
EP-1404316-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives PFIZER INC. 2003-04-10 US disclosed
WO-2003004018-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2003-01-16 WO disclosed
US-6107321-A Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity MERCK SHARP & DOHME LTD. (GB) 2000-08-22 US disclosed
WO-1997011945-A1 DIAZABICYCLOOCTANE DERIVATIVES HAVING SELECTIVE 5-HT1DALPHA ANTAGONIST ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 EPHX1 4404/4885SLC6A2 4688/4885TAAR1 1824/4885
US-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives GABARAP, GABRA3, GABRA2 EPHX1 1528/4885SLC6A2 725/4885TAAR1 97/4885
US-20050026917-A1 Tricyclic indanyls as integrin inhibitors ITGB1, ILK, ITGB2 EPHX1 1714/4885SLC6A2 4733/4885TAAR1 4127/4885
US-10618897-B2 Spiroindolinones as DDR1 inhibitors DDR1, DDR2, DDRGK1 EPHX1 4025/4885SLC6A2 4595/4885TAAR1 2467/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT EPHX1 832/4885SLC6A2 3676/4885TAAR1 4563/4885
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 EPHX1 4025/4885SLC6A2 4595/4885TAAR1 2467/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 EPHX1 4492/4885SLC6A2 4691/4885TAAR1 1920/4885

“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.