Sugi Predict

Sugi Predict / Compounds / SCHEMBL5754142

SCHEMBL5754142

SCHEMBL5754142

CCCCCCN1C(=O)C2C(C1=O)C2(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR2 P34972 7/20 0.41
▸ CNR1 P21554 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5753558 0.83 CNR2 (0.43) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL5756372 0.82 CNR2 (0.42) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL5756143 0.81 MAPT (0.40) MEN1MAPTKMT2ANPSR1LMNA
SCHEMBL5756915 0.80 CNR2 (0.43) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL5754278 0.79 CACNA1F (0.40) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL5757097 0.79 CNR2 (0.38) CNR2CNR1NPSR1LMNAHTT
SCHEMBL5756099 0.73 KDM1A (0.39) MEN1MAPTKMT2ACNR1NPSR1
SCHEMBL5755821 0.71 KDM1A (0.37) MEN1MAPTKMT2ACNR1NPSR1
SCHEMBL5757701 0.69 CNR2 (0.54) CNR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL5753482 0.68 ALDH1A1 (0.40) MAPTCNR1NPSR1LMNAHTT

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 7 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
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 — — EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 — — 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 (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 MEN1 2786/4885MAPT 2546/4885KMT2A 3566/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 MEN1 2786/4885MAPT 2546/4885KMT2A 3566/4885

“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.