SCHEMBL5753533

SCHEMBL5753533

CCCCCCN1CC2C(C1)C2(C)c1cccc(-c2cnc[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
IDO1 P14902 6/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
NMT1 P30419 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL5754114 0.84 OPRM1 (0.39) OPRM1CYP1A2CYP2D6OPRD1OPRK1
SCHEMBL5754528 0.83 IDO1 (0.35) OPRM1IDO1CYP3A4CYP1A2CYP2D6
SCHEMBL5755964 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL5752077 0.80 OPRM1 (0.39) OPRM1CYP3A4CYP1A2CYP2D6OPRD1
SCHEMBL5754618 0.79 OPRM1 (0.42) OPRM1CYP1A2CYP2D6OPRD1OPRK1
SCHEMBL5752087 0.76 OPRM1 (0.41) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL5751667 0.76 OPRM1 (0.46) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL5752933 0.76 DRD3 (0.57) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL5755410 0.76 POLB (0.42) OPRM1CYP3A4CYP1A2CYP2D6OPRD1
SCHEMBL5754428 0.76 OPRM1 (0.46) OPRM1OPRD1OPRK1HTR1ADRD2

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 OPRM1 1/4885IDO1 738/4885CYP3A4 57/4885

“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.