SCHEMBL5753714

SCHEMBL5753714

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
OPRK1 P41145 3/20 0.48
KIF11 P52732 1/20 0.45
CNR1 P21554 3/20 0.42
RORC P51449 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
MLNR O43193 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 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
SCHEMBL5755131 0.84 OPRM1 (0.69) OPRM1OPRK1KIF11OPRD1KCNH2
SCHEMBL5756064 0.81 OPRM1 (0.52) OPRM1OPRK1CYP3A4OPRD1KCNH2
SCHEMBL5755630 0.80 OPRM1 (0.59) OPRM1OPRK1CYP3A4OPRD1KCNH2
SCHEMBL5756918 0.79 OPRM1 (0.57) OPRM1OPRK1OPRD1KCNH2ME2
SCHEMBL5757445 0.79 OPRM1 (0.59) OPRM1OPRK1MEN1KMT2AOPRD1
SCHEMBL5753248 0.77 OPRM1 (0.74) OPRM1OPRK1CYP2C19NPSR1OPRD1
SCHEMBL5755500 0.77 OPRM1 (0.55) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5753623 0.76 OPRM1 (0.53) OPRM1OPRK1MEN1CYP1A2CYP3A4
SCHEMBL5753433 0.76 OPRM1 (0.53) OPRM1OPRK1MEN1KMT2ANPSR1
SCHEMBL5786200 0.76 OPRM1 (0.53) OPRM1OPRK1OPRD1KCNH2

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 1/4885OPRK1 2/4885KIF11 4830/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRK1 2/4885KIF11 4830/4885

“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.