SCHEMBL5755567

SCHEMBL5755567

CCCCCCN1CC2C(C1=O)C2(C)c1cccc(C(=N)OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GBA1 P04062 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
Hydrochloric Acid SCHEMBL5752543 0.99 ALDH1A1 (0.37) ALDH1A1GBA1OPRM1OPRK1OPRD1
SCHEMBL5757356 0.83 OPRM1 (0.51) OPRM1OPRK1OPRD1
SCHEMBL5755766 0.81 GRM2 (0.43) GBA1OPRM1OPRK1OPRD1GRM2
SCHEMBL7562684 0.81 GBA1 (0.38) GBA1OPRM1OPRK1OPRD1
SCHEMBL5755980 0.81 GBA1 (0.38) GBA1OPRM1OPRK1OPRD1
SCHEMBL5756099 0.78 KDM1A (0.39) ALDH1A1GBA1OPRM1OPRK1OPRD1
SCHEMBL5754573 0.78 GRM2 (0.45) GBA1OPRM1OPRK1OPRD1GRM2
SCHEMBL5753967 0.76 BACE1 (0.41) GBA1OPRM1OPRK1OPRD1
SCHEMBL5751493 0.75 CNR2 (0.37) ALDH1A1GBA1OPRM1OPRK1OPRD1
SCHEMBL5756397 0.75 GBA1 (0.34) GBA1OPRM1OPRK1OPRD1

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 ALDH1A1 70/4885GBA1 896/4885OPRM1 1/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 ALDH1A1 70/4885GBA1 896/4885OPRM1 1/4885

“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.