SCHEMBL7622671

SCHEMBL7622671

CCCC(O)N(C)C(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 4/20 0.43
CHRM4 P08173 4/20 0.43
CHRM5 P08912 4/20 0.43
AKR1A1 P14550 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL6237602 0.75 CHRM2 (0.44) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL8434420 0.73 CHRM2 (0.48) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL8633705 0.73 CHRM1 (0.39) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL6524092 0.71 CHRM2 (0.43) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL16000128 0.70 CHRM2 (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL23339733 0.69 FAAH (0.32) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL8299206 0.69 CHRM1 (0.32) CHRM1CHRM3AKR1A1HTR2AHTR2C
SCHEMBL321052 0.69
SCHEMBL15860390 0.69 CHRM1 (0.50) CHRM1CHRM3AKR1A1HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL8588154 0.68 CHRM2 (0.44) CHRM1CHRM3CHRM2CHRM4CHRM5

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
US-20020137672-A1 Radiolabeled annexins KASINA SUDHAKAR (US) 2002-09-26 US disclosed
US-6171577-B1 ACCESSIBLE SULFHYDRYL GROUP; AND HEXOSE MOIETY RECOGNIZED BY A MAMMALIAN LIVER RECEPTOR, WHEREIN THE HEXOSE MOIETY IS CONJUGATED TO THE ANNEXIN. NEORX CORPORATION 2001-01-09 US disclosed
US-5985826-A Methods of using hepatic-directed compounds in pretargeting strategies NEORX CORPORATION (US) 1999-11-16 US disclosed
US-5968477-A IMAGING AGENTS WITH SULFHYDRYL GROUPS AND HEXOSE GROUPS NEORX CORPORATION (US) 1999-10-19 US disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 EP disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 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-20020137672-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CHRM1 4434/4885CHRM3 4051/4885CHRM2 4555/4885

“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.