SCHEMBL5755741

SCHEMBL5755741

CCCCCCN1CC2C(C1)C2(C)c1c(Cl)ccc(NS(C)(=O)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP19A1 P11511 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.34
GUSB P08236 2/20 0.34
CX3CR1 P49238 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL5756887 0.80 OPRM1 (0.43) OPRM1KDM4ELMNACYP19A1OPRD1
SCHEMBL5757575 0.78 OPRM1 (0.50) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL5753749 0.74 OPRM1 (0.74) OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL5757278 0.73 OPRM1 (0.72) OPRM1OPRD1OPRK1KCNH2
SCHEMBL6654080 0.70 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL6654085 0.70 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL5755913 0.68 OPRM1 (0.56) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL5751667 0.68 OPRM1 (0.46) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL5753651 0.67 OPRM1 (0.61) OPRM1OPRD1OPRK1KCNH2DRD2
SCHEMBL5753944 0.67 OPRM1 (0.55) OPRM1LMNACYP19A1OPRD1OPRK1

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 1/4885KDM4E 3058/4885LMNA 3931/4885

“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.