SCHEMBL4021752

SCHEMBL4021752

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
OPRM1 P35372 12/20 0.43
OPRD1 P41143 12/20 0.43
OPRK1 P41145 12/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
BCHE P06276 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4020257 0.87 CYP2C19 (0.46) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL4017914 0.84 OPRK1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL4019214 0.84 OPRK1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL4021779 0.83 KDM4E (0.42) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL4019000 0.81 OPRK1 (0.45) KDM4ENPSR1ALDH1A1OPRM1OPRD1
SCHEMBL4020717 0.81 OPRK1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL4027400 0.80 OPRK1 (0.44) ALDH1A1OPRM1OPRD1OPRK1DRD2
SCHEMBL4021761 0.80 OPRK1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL4022520 0.79 OPRK1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL4023111 0.77 OPRK1 (0.48) OPRM1OPRD1OPRK1

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 8 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
US-RE40838-E1 2-azabicyclo[3.3.1]nonane derivatives PFIZER INC. (US) 2009-07-07 US disclosed
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 disclosed
EP-1615893-A1 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2006-01-18 EP disclosed
WO-2004089909-A1 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-10-21 WO disclosed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 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-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.