SCHEMBL5756331

SCHEMBL5756331

CC1(c2cccnc2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 2/20 0.44
OPRD1 P41143 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MDM2 Q00987 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNA7 P36544 1/20 0.43
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FUCA1 P04066 2/20 0.41

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
SCHEMBL5754744 0.85 OPRM1 (0.57) ALDH1A1OPRD1SIGMAR1
SCHEMBL27668095 0.79 ALDH1A1 (0.46) ALDH1A1TP53OPRD1MDM2LMNA
SCHEMBL1921154 0.79 ALDH1A1 (0.46) ALDH1A1TP53OPRD1MDM2LMNA
SCHEMBL12533702 0.79 ALDH1A1 (0.46) ALDH1A1TP53OPRD1MDM2LMNA
SCHEMBL1921153 0.79 ALDH1A1 (0.46) ALDH1A1TP53OPRD1MDM2LMNA
SCHEMBL22749638 0.76 OPRL1 (0.49) ALDH1A1TP53MDM2LMNACHRM2
SCHEMBL5755410 0.76 POLB (0.42) ALDH1A1CYP3A4MAPTOPRD1NPSR1
SCHEMBL5755376 0.76 OPRM1 (0.50) OPRD1CHRM2CHRM3FUCA1
SCHEMBL30875714 0.75 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPTOPRD1
SCHEMBL5754953 0.75 CYP3A4 (0.54) ALDH1A1TP53CYP3A4MDM2LMNA

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 ALDH1A1 70/4885TP53 3998/4885CYP3A4 57/4885

“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.