SCHEMBL5757102

SCHEMBL5757102

CCCCCCN1CC2C(C1)C2(C)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RAB9A P51151 4/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD3 P35462 5/20 0.41
EPHX2 P34913 1/20 0.40
DRD2 P14416 4/20 0.40
GAA P10253 1/20 0.39
OPRM1 P35372 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5755062 0.84 POLB (0.44) POLBRAB9AACHEKDM4EALDH1A1
SCHEMBL5752077 0.81 OPRM1 (0.39) DRD3DRD2OPRM1CYP1A2CYP3A4
SCHEMBL5755964 0.79 OPRM1 (0.39) DRD3DRD2OPRM1
SCHEMBL5754618 0.77 OPRM1 (0.42) ALDH1A1DRD3DRD2OPRM1BACE1
SCHEMBL5753533 0.75 OPRM1 (0.39) DRD3DRD2OPRM1CYP1A2CYP3A4
SCHEMBL5754114 0.75 OPRM1 (0.39) ALDH1A1DRD3DRD2OPRM1CYP1A2
SCHEMBL5752087 0.74 OPRM1 (0.41) KDM4EALDH1A1DRD3DRD2GAA
SCHEMBL5751667 0.73 OPRM1 (0.46) KDM4EDRD3DRD2GAAOPRM1
SCHEMBL5752933 0.73 DRD3 (0.57) DRD3DRD2OPRM1
SCHEMBL5754428 0.73 OPRM1 (0.46) DRD3DRD2OPRM1

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 5 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 claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 POLB 705/4885RAB9A 3072/4885ACHE 74/4885

“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.