Sugi Predict

Sugi Predict / Compounds / SCHEMBL5757097

SCHEMBL5757097

SCHEMBL5757097

CCCCCCN1C(=O)C2N=NC(c3cccc([N+](=O)[O-])c3)(C(C)C)C2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.38
▸ CNR1 P21554 2/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ CDC25B P30305 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 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
SCHEMBL5756372 0.83 CNR2 (0.42) CNR2CNR1NPSR1LMNAHTT
SCHEMBL5754142 0.79 MEN1 (0.42) CNR2CNR1NPSR1LMNAUSP2
SCHEMBL5753558 0.78 CNR2 (0.43) CNR2CNR1NPSR1LMNAUSP2
SCHEMBL5756915 0.76 CNR2 (0.43) CNR2CNR1NPSR1LMNAUSP2
SCHEMBL5754278 0.74 CACNA1F (0.40) CNR2CNR1NPSR1LMNAUSP2
SCHEMBL5753482 0.70 ALDH1A1 (0.40) CNR1NPSR1LMNAUSP2ALDH1A1
SCHEMBL5756099 0.69 KDM1A (0.39) CNR1NPSR1LMNAUSP2ALDH1A1
SCHEMBL5755821 0.67 KDM1A (0.37) CNR1NPSR1LMNAUSP2ALDH1A1
SCHEMBL5757701 0.65 CNR2 (0.54) CNR2CNR1LMNAALDH1A1HTT
SCHEMBL5756143 0.65 MAPT (0.40) NPSR1LMNAUSP2ALDH1A1HPGD

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-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 — — EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 — — US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 — — US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 — — US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 — — 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CNR2 100/4885CNR1 31/4885NPSR1 169/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CNR2 100/4885CNR1 31/4885NPSR1 169/4885

“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.