Sugi Predict

Sugi Predict / Compounds / SCHEMBL4713410

SCHEMBL4713410

SCHEMBL4713410

CCCCOc1c(N2CCNCC2)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.36
▸ HTR2C P28335 4/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GNAI3 P08754 1/20 0.33

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
SCHEMBL8243898 0.84 ALDH1A1 (0.38) HTR2CHTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL22320273 0.83 ALDH1A1 (0.39) HTR2CHTR2BHTR1ADRD2DRD4
SCHEMBL10078098 0.73 KDM4E (0.39) HRH4HTR2CADRB1HTR2BALDH1A1
Squaric Acid Dibutyl Ester SCHEMBL56180 0.72 CYP3A4 (0.44) ALDH1A1MAPT
SCHEMBL18879753 0.72 ALDH1A1 (0.42) HRH2HRH1HRH4HTR2CHTR3E
SCHEMBL3932102 0.71 CCNT1 (0.38) HTR2CHTR3EHTR3BADRB1HTR3A
SCHEMBL16026511 0.71 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL8551038 0.70 ADRB1 (0.62) HRH2HRH1HTR3EHTR3BADRB1
SCHEMBL30802379 0.70 CHRNB2 (0.42) HTR2CHTR3EHTR3BADRB1HTR3A
SCHEMBL21231245 0.70 ALDH1A1 (0.60) HRH4ALDH1A1MAPTGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 — — EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 — — US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 — — US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 — — US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 — — 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 (2 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 HRH2 49/4885HRH1 29/4885HRH4 31/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 HRH2 54/4885HRH1 29/4885HRH4 32/4885

“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.