SCHEMBL1649346

SCHEMBL1649346

CN1Cc2ccccc2-c2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
KMT2A Q03164 1/20 0.48
ADRA1A P35348 2/20 0.47
DRD1 P21728 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR1A P08908 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
KCNH2 Q12809 1/20 0.47
SETD7 Q8WTS6 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL130712 0.86 MAOA (0.71) MAOAMAOBADRA1ADRD1DRD3
SCHEMBL3670094 0.84 KMT2A (0.50) MAOAMAOBKMT2AADRA1ADRD1
SCHEMBL24964880 0.83 MAOA (0.68) MAOAMAOBKMT2ADRD1DRD3
Bromide SCHEMBL2646357 0.83 MAOA (0.68) MAOAMAOBADRA1ADRD1DRD3
SCHEMBL24227957 0.79 DRD1 (0.62) MAOAMAOBADRA1ADRD1DRD3
SCHEMBL8177711 0.78 MAOA (0.41) MAOAMAOBKMT2AADRA1ADRD1
SCHEMBL3800178 0.77 KMT2A (0.42) MAOAMAOBKMT2AADRA1ADRD1
SCHEMBL19838638 0.75 MAOA (0.62) MAOAMAOBKMT2AADRA1ADRD1
SCHEMBL18387814 0.75 CARM1 (0.46) MAOAMAOBHTR1A
SCHEMBL13939593 0.74 KMT2A (0.48) MAOAKMT2AADRA1AADRA1DADRA1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3945092-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS Etat Français représenté par la Direction Centrale Du Service de Santé des Armées (FR) 2022-02-02 EP disclosed
WO-2021050538-A1 METHODS AND MATERIALS FOR INCREASING LEVEL OF PHOSPHORYLATED AMPK PROTEIN UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-03-18 WO disclosed
WO-2019109132-A1 ISOXAZOLYL COMPOUNDS AS RECEPTOR MODULATING COMPOUNDS AND METHODS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-06-13 WO disclosed
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
US-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME SENOMYX, INC. (US) 2013-07-18 US disclosed
US-8445692-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX INC. (US) 2013-05-21 US disclosed
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF SENOMYX, INC. (US) 2012-04-12 US disclosed
US-8076491-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-12-13 US disclosed
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2010-10-07 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 (3 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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 MAOA 923/4885MAOB 365/4885KMT2A 3406/4885
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof TAS2R50, TAS2R1, TAS2R30 MAOA 1144/4885MAOB 558/4885KMT2A 3181/4885
US-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME TAS2R50, TAS2R1, TAS2R5 MAOA 1006/4885MAOB 454/4885KMT2A 3279/4885

“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.