SCHEMBL3139867

SCHEMBL3139867

CC[CH]OC(=O)c1cnco1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
CHRNA4 P43681 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
NAMPT P43490 1/20 0.33
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
IMPDH2 P12268 2/20 0.30
IMPDH1 P20839 2/20 0.30

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
SCHEMBL414791 0.77 NAMPT (0.46) ACACBNAMPT
SCHEMBL28317573 0.75 ALDH1A1 (0.44) ACACBNAMPTHRH2HRH1
SCHEMBL2928096 0.74
SCHEMBL8916525 0.72
SCHEMBL3146758 0.71 KMT2A (0.49)
SCHEMBL23042189 0.70 CHRNA4 (0.36) ACACBCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL3139874 0.68 ALDH1A1 (0.35) ACACBCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL249355 0.68
SCHEMBL888662 0.67 CHRNA4 (0.39) ACACBCHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL27892844 0.67 CHRNA4 (0.44) ACACBCHRNA4CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP claimed
EP-2197879-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP claimed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US claimed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO claimed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 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-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 ACACB 3272/4885CHRNA4 4637/4885CHRNB2 4801/4885

“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.