SCHEMBL5753944

SCHEMBL5753944

CCCCCCN1CC2C(C1)C2(C)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.55
CYP19A1 P11511 1/20 0.47
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5755913 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNH2HTR2A
SCHEMBL5753749 0.85 OPRM1 (0.74) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5753651 0.85 OPRM1 (0.61) OPRM1OPRD1OPRK1KCNH2DRD2
SCHEMBL5756117 0.84 OPRM1 (0.52) OPRM1OPRD1OPRK1KCNH2CYP1A2
Hydrochloric Acid SCHEMBL5757278 0.84 OPRM1 (0.72) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5753282 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1KCNH2
SCHEMBL6654672 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL6654668 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL5756134 0.83 OPRM1 (0.59) OPRM1OPRD1OPRK1KCNH2MEN1
SCHEMBL5757232 0.83 OPRM1 (0.59) OPRM1OPRD1OPRK1KCNH2

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 1/4885CYP19A1 239/4885EGFR 2877/4885

“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.