SCHEMBL5754573

SCHEMBL5754573

CCCCCCN1CC2C(C1=O)C2(C)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.45
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
AR P10275 2/20 0.38
GBA1 P04062 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP1 P29466 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
BACE1 P56817 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NSD2 O96028 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
SCHEMBL5753765 0.86 OPRM1 (0.48) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL5755766 0.84 GRM2 (0.43) GRM2GBA1OPRM1OPRD1OPRK1
SCHEMBL5757356 0.84 OPRM1 (0.51) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL5755980 0.84 GBA1 (0.38) DRD3GBA1OPRM1OPRD1OPRK1
SCHEMBL7562684 0.84 GBA1 (0.38) GBA1OPRM1OPRD1OPRK1
SCHEMBL5756099 0.81 KDM1A (0.39) GBA1OPRM1OPRD1OPRK1NPSR1
SCHEMBL5751493 0.78 CNR2 (0.37) DRD2DRD3GBA1OPRM1OPRD1
SCHEMBL5755567 0.78 ALDH1A1 (0.38) GRM2GBA1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5752543 0.77 ALDH1A1 (0.37) GRM2GBA1OPRM1OPRD1OPRK1
SCHEMBL5753967 0.77 BACE1 (0.41) GBA1CYP2D6OPRM1OPRD1OPRK1

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 GRM2 1365/4885DRD2 264/4885DRD3 245/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 GRM2 1365/4885DRD2 264/4885DRD3 245/4885

“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.