Sugi Predict

Sugi Predict / Compounds / SCHEMBL761240

SCHEMBL761240

SCHEMBL761240

CC1=NN(C)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 2/20 0.44
▸ DRD2 P14416 3/20 0.42
▸ DRD1 P21728 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ DRD5 P21918 2/20 0.42
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ ADRA2A P08913 1/20 0.38

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
SCHEMBL761635 0.81 NPC1 (0.40) SETD7DRD1MAOAMAOBDRD3
SCHEMBL21508371 0.70 KIF11 (0.39) SETD7MAOB
SCHEMBL29385430 0.68 NOS3 (0.59) MAOAHTR2AHTR2CHTR1A
SCHEMBL30310 0.68 NOS3 (0.59) MAOAHTR2AHTR2CHTR1A
SCHEMBL22293655 0.66 MEN1 (0.42) MAOAMAOB
SCHEMBL22293656 0.66 HSD11B1 (0.50) MAOAMAOBHTR2BADRA1AADRA2A
SCHEMBL13185710 0.66 KMT2A (0.40) SETD7DRD2DRD1MAOAMAOB
SCHEMBL21578365 0.65 SETD7 (0.47) SETD7DRD2DRD1MAOAMAOB
SCHEMBL677630 0.65 GRM5 (0.58) SETD7DRD2DRD1MAOAMAOB
SCHEMBL22247872 0.65 SETD7 (0.47) SETD7DRD2DRD1MAOAMAOB

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
CN-104755473-A 2,3-benzodiazepines Bayer Pharma AG 2015-07-01 — — CN claimed
CN-104755473-B 2,3 benzodiazepine * 拜耳医药股份有限公司 2017-03-08 — — CN disclosed
CN-104755473-A 2,3-benzodiazepines Bayer Pharma AG 2015-07-01 — — CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SETD7 1266/4885DRD2 2122/4885DRD1 2012/4885

“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.