SCHEMBL5754850

SCHEMBL5754850

CC1(c2cccc([N+](=O)[O-])c2)C2CN(CCCc3ccccc3)C(=O)C21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
OPRM1 P35372 1/20 0.45
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL5754580 0.88 TDP1 (0.44) SIGMAR1TDP1MEN1KMT2ALMNA
SCHEMBL5754873 0.87 SIGMAR1 (0.47) SIGMAR1OPRM1TDP1MEN1NPC1
SCHEMBL5756099 0.86 KDM1A (0.39) OPRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL5753424 0.82 POLB (0.38) ALDH1A1HPGD
SCHEMBL5757431 0.79 KDM1A (0.40) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL5754398 0.77 OPRM1 (0.41) OPRM1
SCHEMBL5753825 0.76 OPRM1 (0.40) SIGMAR1OPRM1
SCHEMBL5758824 0.75 OPRM1 (0.39) OPRM1
SCHEMBL5754004 0.74 SIGMAR1 (0.52) SIGMAR1OPRM1MEN1NPC1RAB9A
SCHEMBL5755821 0.74 KDM1A (0.37) OPRM1TDP1MEN1KMT2AALDH1A1

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 SIGMAR1 16/4885OPRM1 1/4885TDP1 1556/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 SIGMAR1 16/4885OPRM1 1/4885TDP1 1556/4885

“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.