SCHEMBL2366486

SCHEMBL2366486

Cc1cc(C)c(N2CCNCC2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.57
HTR3A P46098 8/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
HTR7 P34969 3/20 0.51
HTR1A P08908 7/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 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
SCHEMBL10329748 0.82 ADRB1 (0.52) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL30609616 0.82 ADRB1 (0.53) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL17884851 0.82 ADRB1 (0.52) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL30609659 0.82 ADRB1 (0.52) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL17884970 0.82 ADRB1 (0.53) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL2649129 0.80 ALDH1A1 (0.73) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL19170711 0.79 ALDH1A1 (0.62)
SCHEMBL255197 0.78 HTR3A (0.67) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL29805912 0.78 HTR1A (0.62) ADRB1HTR3AHTR7HTR1ACYP1A2
SCHEMBL255418 0.78 HTR1A (0.62) ADRB1HTR3AHTR7HTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
CN-102971291-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2015-07-22 CN disclosed
CN-102239152-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP. (JP) 2014-10-29 CN disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP disclosed
CN-102971291-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2013-03-13 CN disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-8383631-B2 1,6-disubstituted-3-amino-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridin-7-one compounds and preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-26 US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 US disclosed
US-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 EP 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 ADRB1 4474/4885HTR3A 3738/4885HTR3E 3799/4885
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 ADRB1 4534/4885HTR3A 3071/4885HTR3E 3085/4885
US-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, THPO, PLEC ADRB1 2359/4885HTR3A 1049/4885HTR3E 1091/4885

“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.