SCHEMBL762701

SCHEMBL762701

CC1Cc2ccccc2CN(C)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
SLC6A2 P23975 14/20 0.47
SLC6A3 Q01959 14/20 0.47
SLC6A4 P31645 13/20 0.47

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
SCHEMBL19844796 1.00 MAOA (0.50) MAOAMAOBSLC6A2SLC6A3SLC6A4
SCHEMBL14945155 0.76 MEN1 (0.42)
SCHEMBL19844808 0.76 MAOA (0.46) MAOAMAOBSLC6A2SLC6A3SLC6A4
SCHEMBL315647 0.75 BRD4 (0.54)
SCHEMBL130712 0.75 MAOA (0.71) MAOAMAOBSLC6A2SLC6A3SLC6A4
SCHEMBL762699 0.73 NOTUM (0.46) MAOAMAOBSLC6A2SLC6A3SLC6A4
SCHEMBL24964880 0.73 MAOA (0.68) MAOAMAOBSLC6A2SLC6A3SLC6A4
Bromide SCHEMBL2646357 0.73 MAOA (0.68) MAOAMAOBSLC6A2SLC6A3SLC6A4
Methane SCHEMBL27448869 0.73 BRD4 (0.52)
SCHEMBL10173839 0.72 MTNR1A (0.49) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 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-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE MAOA 2132/4885MAOB 1716/4885SLC6A2 3043/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 MAOA 1798/4885MAOB 3025/4885SLC6A2 3593/4885
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 MAOA 3642/4885MAOB 2830/4885SLC6A2 1446/4885

“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.