SCHEMBL5399536

SCHEMBL5399536

Nc1cccc(C2(O)C3CCC2CN(Cc2cccc4ccccc24)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.44
OPRL1 P41146 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
FAAH O00519 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SSTR5 P35346 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
SCN9A Q15858 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL5401191 0.87 TSHR (0.35) TSHRACHEOPRM1OPRK1MEN1
SCHEMBL5399531 0.85 TSHR (0.46) TSHRACHEOPRL1OPRM1OPRK1
SCHEMBL5395216 0.85 OPRM1 (0.44) TSHROPRM1FAAHMEN1KMT2A
SCHEMBL5398728 0.83 CHEK1 (0.33) TSHRACHEOPRM1OPRK1
SCHEMBL5398761 0.83 DRD3 (0.50) TSHROPRM1MEN1KMT2ATMEM97
SCHEMBL5394580 0.82 FUCA1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL5402554 0.82 DRD2 (0.46) TSHRHDAC8HDAC6MEN1KMT2A
SCHEMBL5417261 0.82 OPRL1 (0.44) ACHEOPRL1OPRM1OPRK1FAAH
SCHEMBL5403122 0.78 DRD2 (0.46) OPRM1OPRK1
SCHEMBL5409581 0.78 CXCR3 (0.41) OPRL1OPRM1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US claimed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US claimed
US-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US disclosed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP disclosed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US disclosed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 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 (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-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives OPRD1, OPRK1, OPRM1 TSHR 347/4885ACHE 1455/4885OPRL1 4/4885

“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.