SCHEMBL5756397

SCHEMBL5756397

CCCCCCN1CC2C(C1=O)C2(C)c1cccc(-c2c[nH]nn2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRD1 P41143 2/20 0.33
MAPT P10636 1/20 0.32
FSHR P23945 6/20 0.32
PLA2G2A P14555 2/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CBL P22681 1/20 0.31
CBLB Q13191 1/20 0.31

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
SCHEMBL5756364 0.84 GBA1 (0.36) GBA1OPRM1OPRK1OPRD1MAPT
SCHEMBL5753967 0.83 BACE1 (0.41) GBA1OPRM1OPRK1OPRD1BACE1
SCHEMBL5756833 0.82 CYP1A2 (0.35) GBA1OPRM1OPRK1OPRD1PLA2G2A
SCHEMBL5754528 0.82 IDO1 (0.35) GBA1OPRM1OPRK1OPRD1
SCHEMBL5754520 0.82 GBA1 (0.34) GBA1OPRM1OPRK1OPRD1FSHR
SCHEMBL5757448 0.81 GBA1 (0.33) GBA1OPRM1OPRK1OPRD1MAPT
SCHEMBL5751493 0.79 CNR2 (0.37) GBA1OPRM1OPRK1OPRD1BACE1
SCHEMBL7562684 0.78 GBA1 (0.38) GBA1OPRM1OPRK1OPRD1
SCHEMBL5755980 0.78 GBA1 (0.38) GBA1OPRM1OPRK1OPRD1
SCHEMBL5755766 0.78 GRM2 (0.43) GBA1OPRM1OPRK1OPRD1BACE1

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 GBA1 896/4885OPRM1 1/4885OPRK1 2/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 GBA1 896/4885OPRM1 1/4885OPRK1 2/4885

“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.