SCHEMBL5754953

SCHEMBL5754953

CC1(c2cccnc2)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRA2A P08913 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ELANE P08246 1/20 0.44
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL5758490 0.85 EPHX1 (0.44) CYP3A4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL5754810 0.77 CNR2 (0.47)
SCHEMBL6984869 0.76 ELANE (0.44) SMN1; SMN2HSD17B10ALDH1A1ADRA2ANISCH
SCHEMBL9909016 0.75 ELANE (0.59) SMN1; SMN2ALDH1A1ADRA2ANISCHMEN1
SCHEMBL12469648 0.75 ELANE (0.59) SMN1; SMN2ALDH1A1ADRA2ANISCHMEN1
SCHEMBL5756331 0.75 ALDH1A1 (0.44) CYP3A4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6986198 0.73 TDP1 (0.54) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL30875735 0.73 POLB (0.42) CYP3A4SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL6982155 0.71 OPRM1 (0.57) ACHE
SCHEMBL4454008 0.68 OPRM1 (0.40) CYP3A4SMN1; SMN2CYP2C9CYP2C19ALDH1A1

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 CYP3A4 57/4885SMN1; SMN2 2757/4885CYP2C9 58/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CYP3A4 57/4885SMN1; SMN2 2757/4885CYP2C9 58/4885

“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.