SCHEMBL5758490

SCHEMBL5758490

CC1(c2cccnc2)C2C(=O)N(CCCc3ccccc3)C(=O)C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
OPRL1 P41146 1/20 0.40
TGM2 P21980 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 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
SCHEMBL5754953 0.85 CYP3A4 (0.54) CYP3A4SMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL5754810 0.83 CNR2 (0.47) FAAH
SCHEMBL5754744 0.77 OPRM1 (0.57) KDM4EALDH1A1ALOX15OPRM1SIGMAR1
SCHEMBL4651550 0.67 KMT2A (0.63) KDM4EALDH1A1KMT2A
SCHEMBL5756331 0.66 ALDH1A1 (0.44) CYP3A4SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL4169559 0.65 SIGMAR1 (0.67) KDM4EALDH1A1ALOX15SIGMAR1
SCHEMBL8200325 0.64 CYP2A6 (0.68)
SCHEMBL8199794 0.64 TDP1 (0.71)
Bromide SCHEMBL4174825 0.64 SIGMAR1 (0.65) KDM4EALDH1A1ALOX15SIGMAR1
SCHEMBL11307514 0.63 MEN1 (0.43) EPHX1EPHX2ALDH1A1OPRM1OPRL1

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 EPHX1 219/4885EPHX2 555/4885CYP3A4 57/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 EPHX1 219/4885EPHX2 555/4885CYP3A4 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.