SCHEMBL5754528

SCHEMBL5754528

CCCCCCN1CC2C(C1=O)C2(C)c1cccc(-c2cnc[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GBA1 P04062 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRD1 P41143 2/20 0.33
NMT1 P30419 1/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
CNR2 P34972 2/20 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
SCHEMBL5754520 0.85 GBA1 (0.34) GBA1OPRM1OPRK1OPRD1
SCHEMBL5756364 0.84 GBA1 (0.36) GBA1OPRM1OPRK1OPRD1
SCHEMBL5753533 0.83 OPRM1 (0.39) IDO1CYP3A4CYP1A2CYP2D6OPRM1
SCHEMBL5756397 0.82 GBA1 (0.34) GBA1OPRM1OPRK1OPRD1
SCHEMBL5756833 0.82 CYP1A2 (0.35) CYP3A4CYP1A2CYP2D6GBA1OPRM1
SCHEMBL5753967 0.81 BACE1 (0.41) CYP1A2CYP2D6GBA1OPRM1OPRK1
SCHEMBL5751493 0.79 CNR2 (0.37) GBA1OPRM1OPRK1OPRD1CNR2
SCHEMBL5755980 0.78 GBA1 (0.38) GBA1OPRM1OPRK1OPRD1CNR2
SCHEMBL7562684 0.78 GBA1 (0.38) GBA1OPRM1OPRK1OPRD1CNR2
SCHEMBL5757356 0.78 OPRM1 (0.51) OPRM1OPRK1OPRD1

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 IDO1 738/4885CYP3A4 57/4885CYP1A2 48/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 IDO1 738/4885CYP3A4 57/4885CYP1A2 48/4885

“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.