SCHEMBL4021779

SCHEMBL4021779

CS(=O)(=O)Nc1cccc(C23CCCC(C2)N(Cc2c[nH]c4ccccc24)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRM1 P35372 12/20 0.41
OPRD1 P41143 12/20 0.41
OPRK1 P41145 12/20 0.41
CYP2C19 P33261 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HTR6 P50406 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL4020725 0.86 OPRM1 (0.43) OPRM1OPRD1OPRK1HCRTR2
SCHEMBL4025682 0.86 OPRM1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL4016894 0.84 OPRM1 (0.41) OPRM1OPRD1OPRK1CYP2C19
SCHEMBL4020247 0.84 OPRK1 (0.42) OPRM1OPRD1OPRK1HCRTR1HCRTR2
SCHEMBL4021250 0.83 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL4023178 0.83 OPRM1 (0.40) OPRM1OPRD1OPRK1CYP2C19
SCHEMBL4021752 0.83 KDM4E (0.45) KDM4EMAPTKMT2ANPSR1OPRM1
SCHEMBL6100545 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL4019776 0.81 OPRM1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL4020249 0.81 HCRTR1 (0.38) OPRM1OPRD1OPRK1HCRTR1HCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40838-E1 2-azabicyclo[3.3.1]nonane derivatives PFIZER INC. (US) 2009-07-07 US claimed
US-7056930-B2 for treatment of disease states, disorders and conditions mediated by opioid receptors; for example, irritable bowel syndrome, drug addiction, including alcohol addiction, depression, anxiety, schizophrenia, eating disorders PFIZER INC. (US) 2006-06-06 US claimed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 US claimed

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-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives OPRD1, OPRK1, OPRM1 KDM4E 1273/4885MAPT 4141/4885KMT2A 859/4885

“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.