SCHEMBL2365777

SCHEMBL2365777

c1cc(N2CCNCC2)ncc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.49
▸ CRBN Q96SW2 1/20 0.49
▸ PLD1 Q13393 1/20 0.49
▸ PANK3 Q9H999 1/20 0.45
▸ RET P07949 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ BPTF Q12830 2/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ LCAT P04180 1/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
Hydrochloric Acid SCHEMBL25318678 0.86 CHRNA7 (0.45) DDB1CRBNPLD1PANK3HTR2C
Hydrochloric Acid SCHEMBL30476651 0.86 CHRNA7 (0.45) DDB1CRBNPLD1PANK3HTR2C
SCHEMBL30932095 0.84 CHRNA7 (0.48) PANK3LCATKDM4EALDH1A1HTT
SCHEMBL12240393 0.83 CHRNA7 (0.50) PANK3LCATKDM4EALDH1A1CYP1A2
Cyanide SCHEMBL27694903 0.80 PANK3 (0.45) PANK3LCATKDM4EALDH1A1HTT
SCHEMBL24467706 0.79 ALDH1A1 (0.55) PLD1HRH3HRH4KCNH2KDM4E
SCHEMBL529383 0.77 PLD1 (0.53) DDB1CRBNPLD1HRH3HRH4
SCHEMBL31347924 0.77 PLD1 (0.53) DDB1CRBNPLD1HRH3HRH4
Hydrochloric Acid SCHEMBL29208842 0.77 ALDH1A1 (0.58) HRH3HRH4KCNH2KDM4EUSP2
SCHEMBL27848381 0.76 PANK3 (0.43) PANK3RETLCATKDM4EHTT

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
CN-102239152-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP. (JP) 2014-10-29 — — CN disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 — — EP disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 — — EP disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 — — 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-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 — — US disclosed
CN-102239152-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2011-11-09 — — CN disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 — — US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 — — 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
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 — — EP disclosed
WO-2010050461-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE 田辺三菱製薬株式会社 (JP) 2010-05-06 — — 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 (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-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 DDB1 4613/4885CRBN 4759/4885PLD1 3325/4885

“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.

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