SCHEMBL5753433

SCHEMBL5753433

Cn1cc(CC(=O)N2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
DUSP3 P51452 1/20 0.42
KCNH2 Q12809 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PTPN5 P54829 1/20 0.39
NPY5R Q15761 1/20 0.39
ACKR3 P25106 1/20 0.38

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
SCHEMBL5754282 0.85 OPRM1 (0.64) OPRM1ALDH1A1MAPTLMNAGAA
SCHEMBL5786200 0.82 OPRM1 (0.53) OPRM1SMN1; SMN2MAPTKCNH2OPRD1
SCHEMBL5755619 0.76 OPRM1 (0.51) OPRM1ALDH1A1HTTMEN1KMT2A
SCHEMBL5753714 0.76 OPRM1 (0.53) OPRM1NPSR1MEN1KMT2AKCNH2
SCHEMBL5758139 0.76 OPRM1 (0.55) OPRM1ALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL5753248 0.75 OPRM1 (0.74) OPRM1ALDH1A1HTTNPSR1MAPT
SCHEMBL5756918 0.75 OPRM1 (0.57) OPRM1ALDH1A1SMN1; SMN2KCNH2OPRD1
SCHEMBL5756064 0.75 OPRM1 (0.52) OPRM1ALDH1A1SMN1; SMN2KCNH2OPRD1
SCHEMBL5757484 0.74 OPRM1 (0.54) OPRM1MEN1KMT2AMAPK1KCNH2
SCHEMBL5755086 0.73 OPRM1 (0.55) OPRM1ALDH1A1HTTNPSR1MEN1

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 OPRM1 1/4885ALDH1A1 70/4885HTT 3133/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885ALDH1A1 70/4885HTT 3133/4885

“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.