SCHEMBL5757575

SCHEMBL5757575

CCCCCCN1CC2C(C1)C2(C)c1ccccc1NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
PTGS2 P35354 2/20 0.40
KCNH2 Q12809 4/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37

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 0.81 OPRM1 (0.43) OPRM1KCNH2OPRD1OPRK1KDM4E
SCHEMBL5753749 0.80 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1
Hydrochloric Acid SCHEMBL5757278 0.79 OPRM1 (0.72) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755741 0.78 OPRM1 (0.42) OPRM1KCNH2OPRD1OPRK1KDM4E
SCHEMBL5752500 0.78 ALDH1A1 (0.43) KCNH2KDM4ELMNASIGMAR1ALDH1A1
SCHEMBL5755126 0.72 OPRM1 (0.71) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5754361 0.71 OPRM1 (0.64) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5753440 0.71 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1
SCHEMBL6659241 0.70 SIGMAR1 (0.47) OPRM1SIGMAR1
SCHEMBL5753651 0.70 OPRM1 (0.61) 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 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 1/4885PTGS2 1283/4885KCNH2 3004/4885

“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.