SCHEMBL5755381

SCHEMBL5755381

CCCCCCC1C(=O)C2N(C1=O)C2(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR2 P34972 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL5753704 0.81 CNR2 (0.39) LMNAALDH1A1CNR2MAPTGAA
SCHEMBL5757701 0.71 CNR2 (0.54) LMNAALDH1A1SMN1; SMN2CNR2HTT
Hexane SCHEMBL27460259 0.67 HSD17B10 (0.56) LMNAALDH1A1SMN1; SMN2MAPTGAA
Pentane SCHEMBL27733467 0.64 HSD17B10 (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6398343 0.62 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL6686635 0.62 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL30668793 0.62 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL27782985 0.62 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL29350218 0.62 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL28031451 0.62 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTGAA

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 LMNA 3931/4885ALDH1A1 70/4885SMN1; SMN2 2757/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 LMNA 3931/4885ALDH1A1 70/4885SMN1; SMN2 2757/4885

“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.