SCHEMBL5756319

SCHEMBL5756319

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.39
DRD2 P14416 6/20 0.39
GRM2 Q14416 1/20 0.38
HTR1A P08908 5/20 0.37
DRD1 P21728 5/20 0.37
DRD4 P21917 5/20 0.37
DRD5 P21918 5/20 0.37
TSHR P16473 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
SCHEMBL5754428 0.83 OPRM1 (0.46) DRD3DRD2GRM2HTR1ADRD1
SCHEMBL5757025 0.82 OPRM1 (0.45) DRD3GRM2
SCHEMBL5756143 0.81 MAPT (0.40)
SCHEMBL5753298 0.81 OPRM1 (0.40) DRD3DRD2GRM2HTR1ADRD1
SCHEMBL5756107 0.81 GRM2 (0.41) DRD3DRD2GRM2HTR1ADRD1
SCHEMBL5755125 0.81 OPRM1 (0.55) HTR1A
SCHEMBL5754596 0.80 DRD3 (0.40) DRD3DRD2GRM2HTR1ADRD1
SCHEMBL5756851 0.78 TSHR (0.39) DRD3DRD2GRM2HTR1ADRD1
SCHEMBL5401222 0.75 DRD3 (0.43) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL5410215 0.75 DRD3 (0.43) DRD3DRD2HTR1ADRD1DRD4

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

“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.