SCHEMBL5755532

SCHEMBL5755532

C=CCN1CC2C(C1=O)C2(C)c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
NPY1R P25929 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.31

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
SCHEMBL5757431 0.83 KDM1A (0.40) LMNAGAA
SCHEMBL5756711 0.81 OPRM1 (0.43) CYP19A1OPRM1OPRK1NPY1RGAA
SCHEMBL5755766 0.80 GRM2 (0.43) CYP19A1OPRM1OPRK1GRM2
SCHEMBL5756010 0.78 OPRM1 (0.40) OPRM1OPRK1NPY1RLMNAGAA
SCHEMBL7073299 0.70 CYP19A1 (0.40) CYP19A1OPRM1OPRK1LMNAGAA
SCHEMBL7071845 0.68 OPRM1 (0.45) OPRM1OPRK1LMNAGAA
SCHEMBL7562684 0.66 GBA1 (0.38) OPRM1OPRK1
SCHEMBL5754580 0.65 TDP1 (0.44) LMNA
SCHEMBL18091569 0.64 NPY1R (0.41) OPRM1OPRK1NPY1R
SCHEMBL6984869 0.64 ELANE (0.44) CYP19A1OPRM1OPRK1

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 CYP19A1 239/4885OPRM1 1/4885OPRK1 2/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CYP19A1 239/4885OPRM1 1/4885OPRK1 2/4885

“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.