SCHEMBL5753765

SCHEMBL5753765

CC1(c2cccc(C#N)c2)C2CN(CCCc3ccccc3)C(=O)C21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.48
ARRB1 P49407 1/20 0.48
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
BACE1 P56817 2/20 0.39
KCNH2 Q12809 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
OPRD1 P41143 4/20 0.37
CHRM3 P20309 1/20 0.37
OPRK1 P41145 3/20 0.36
OPRL1 P41146 1/20 0.36
KCNJ1 P48048 1/20 0.36
NAMPT P43490 1/20 0.36
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5754573 0.86 GRM2 (0.45) OPRM1DRD2DRD3BACE1OPRD1
SCHEMBL5754850 0.82 SIGMAR1 (0.49) OPRM1SIGMAR1
SCHEMBL5754727 0.81 OPRM1 (0.62) OPRM1ARRB1DRD2DRD3SIGMAR1
SCHEMBL5754398 0.77 OPRM1 (0.41) OPRM1OPRD1CHRM3OPRK1
SCHEMBL5753825 0.76 OPRM1 (0.40) OPRM1SIGMAR1OPRD1CHRM3OPRK1
SCHEMBL5758824 0.75 OPRM1 (0.39) OPRM1OPRD1CHRM3OPRK1
SCHEMBL5756711 0.71 OPRM1 (0.43) OPRM1CHRM3OPRK1OPRL1
SCHEMBL5754873 0.70 SIGMAR1 (0.47) OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL5755980 0.70 GBA1 (0.38) OPRM1DRD3OPRD1OPRK1
SCHEMBL5755766 0.70 GRM2 (0.43) OPRM1BACE1OPRD1OPRK1

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 OPRM1 1/4885ARRB1 30/4885DRD2 264/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885ARRB1 30/4885DRD2 264/4885

“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.