SCHEMBL5754892

SCHEMBL5754892

CCCCCCN1CC2C(C1)C2(C)c1ccc(N)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
GUSB P08236 2/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP19A1 P11511 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1A P08908 5/20 0.36
DRD2 P14416 5/20 0.36
DRD1 P21728 5/20 0.36
DRD4 P21917 5/20 0.36
DRD5 P21918 5/20 0.36
DRD3 P35462 5/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5756228 0.86 MAPT (0.42) OPRM1CYP19A1ALDH1A1
SCHEMBL5754428 0.84 OPRM1 (0.46) OPRM1HTR1ADRD2DRD1DRD4
SCHEMBL5751667 0.79 OPRM1 (0.46) OPRM1HTR1ADRD2DRD1DRD4
SCHEMBL5752933 0.79 DRD3 (0.57) OPRM1HTR1ADRD2DRD1DRD4
SCHEMBL5752500 0.78 ALDH1A1 (0.43) GUSBEBPSIGMAR1ALDH1A1CYP1A2
SCHEMBL7621657 0.76 OPRM1 (0.51) OPRM1
SCHEMBL7621660 0.76 OPRM1 (0.51) OPRM1
SCHEMBL7963376 0.76 OPRM1 (0.37) OPRM1GUSBEBPSIGMAR1KDM4E
SCHEMBL5755560 0.76 OPRM1 (0.35) OPRM1GUSBEBPSIGMAR1DRD2
SCHEMBL5753282 0.75 OPRM1 (0.60) OPRM1

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 1/4885GUSB 321/4885EBP 19/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885GUSB 321/4885EBP 19/4885

“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.