Sugi Predict

Sugi Predict / Compounds / SCHEMBL5755872

SCHEMBL5755872

SCHEMBL5755872

CCCCCCN1CC2C(C1)C2(C=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ KDM1A O60341 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37

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
SCHEMBL5753482 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1USP2HPGDXBP1
SCHEMBL5755049 0.84 NPSR1 (0.41) ALDH1A1NPSR1USP2HPGDXBP1
SCHEMBL5758740 0.83 KDM1A (0.42) ALDH1A1NPSR1USP2HPGDXBP1
SCHEMBL5754109 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1USP2HPGDXBP1
SCHEMBL5756143 0.82 MAPT (0.40) ALDH1A1NPSR1USP2HPGDXBP1
SCHEMBL5754917 0.81 HTT (0.41) ALDH1A1NPSR1MAPTKDM1AHTT
SCHEMBL18091491 0.75 KDM1A (0.44) ALDH1A1NPSR1MAPTKDM1AHTT
SCHEMBL18091492 0.75 KDM1A (0.44) ALDH1A1NPSR1MAPTKDM1AHTT
SCHEMBL6653811 0.75 DRD3 (0.50) —
SCHEMBL5756099 0.74 KDM1A (0.39) ALDH1A1NPSR1USP2HPGDXBP1

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 ALDH1A1 70/4885NPSR1 169/4885USP2 4483/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 ALDH1A1 70/4885NPSR1 169/4885USP2 4483/4885

“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.