SCHEMBL5756505

SCHEMBL5756505

CCC1(c2cccc(N)c2)C2CN(CCCc3ccccc3)CC21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
OPRM1 P35372 14/20 0.50
OPRK1 P41145 4/20 0.50
OPRD1 P41143 4/20 0.43
KCNH2 Q12809 3/20 0.43

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
SCHEMBL5754673 0.86 OPRM1 (0.66) SIGMAR1OPRM1OPRK1OPRD1KCNH2
SCHEMBL4699790 0.85 OPRM1 (0.46) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5757025 0.84 OPRM1 (0.45) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5754634 0.81 OPRM1 (0.66) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5755436 0.81 OPRM1 (0.78) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4698334 0.78 OPRM1 (0.69) OPRM1OPRK1OPRD1KCNH2
Acetic Acid SCHEMBL5752556 0.78 OPRM1 (0.61) OPRM1OPRK1OPRD1KCNH2
Acetic Acid SCHEMBL5754734 0.78 OPRM1 (0.72) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5403628 0.77 SIGMAR1 (0.52) SIGMAR1OPRM1OPRK1OPRD1KCNH2
SCHEMBL5486045 0.76 OPRM1 (0.50) OPRM1OPRK1OPRD1KCNH2

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 SIGMAR1 16/4885OPRM1 1/4885OPRK1 2/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 SIGMAR1 16/4885OPRM1 1/4885OPRK1 2/4885

“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.