SCHEMBL5778653

SCHEMBL5778653

c1ccc(CN2CCc3c(ccnc3CN3CCOCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
DRD4 P21917 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
FAAH O00519 3/20 0.48
NPC1 O15118 2/20 0.45
ADRA2C P18825 1/20 0.44
BRS3 P32247 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PNMT P11086 1/20 0.41

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
SCHEMBL5777580 0.89 FAAH (0.51) SIGMAR1FAAHNPC1MEN1RAB9A
SCHEMBL5775017 0.88 FAAH (0.50) FAAHNPC1MEN1RAB9AKMT2A
SCHEMBL5776677 0.81 FAAH (0.45) FAAHPRMT5WDR77
SCHEMBL5775158 0.81 FAAH (0.48) FAAHNPC1MEN1RAB9AKMT2A
SCHEMBL5774446 0.80 FAAH (0.46) TMEM97SIGMAR1DRD4HTR2BFAAH
SCHEMBL5772604 0.80 FAAH (0.52) FAAHNPC1MEN1RAB9AKMT2A
SCHEMBL5774958 0.80 FAAH (0.49) FAAHNPC1BRS3MEN1RAB9A
SCHEMBL1549789 0.79 FAAH (0.56) SIGMAR1FAAHNPC1MEN1RAB9A
SCHEMBL1921426 0.77 FAAH (0.54) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL3932572 0.77 FAAH (0.54) SIGMAR1FAAHNPC1MEN1RAB9A

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 TMEM97 2253/4885SIGMAR1 795/4885ADRA2A 64/4885

“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.