SCHEMBL5753786

SCHEMBL5753786

COc1ccccc1CCCN1CC2C(C1)C2(C)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.72
KCNH2 Q12809 3/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TACR1 P25103 1/20 0.41
USP2 O75604 3/20 0.41
CYP2D6 P10635 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL5753174 0.87 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5757484 0.84 OPRM1 (0.54) OPRM1KCNH2OPRD1OPRK1ADRA1D
SCHEMBL5753484 0.84 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1KMT2A
SCHEMBL5755504 0.84 OPRM1 (0.80) OPRM1KCNH2OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL5756166 0.83 OPRM1 (0.98) OPRM1KCNH2OPRD1OPRK1KMT2A
SCHEMBL5752837 0.82 OPRM1 (0.83) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5754539 0.81 OPRM1 (0.94) OPRM1KCNH2OPRD1OPRK1KMT2A
Acetic Acid SCHEMBL5756411 0.81 OPRM1 (0.92) OPRM1KCNH2OPRD1OPRK1KDM4E
SCHEMBL5753459 0.81 OPRM1 (0.69) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755033 0.81 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1

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 6 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
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 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 1/4885KCNH2 3004/4885OPRD1 3/4885

“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.