SCHEMBL13801425

SCHEMBL13801425

CC(=O)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.53
GNAO1 P09471 6/20 0.53
GNAI1 P63096 6/20 0.53
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
EPHX2 P34913 3/20 0.43
EPHX1 P07099 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14317238 0.84 EPHX2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL12525689 0.83 CHRNB2 (0.61) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL23779181 0.83 CHRNB2 (0.61) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL22919206 0.81 CHRNB2 (0.63) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL27752663 0.81 CHRNB2 (0.63) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL144841 0.81 GNAI3 (0.50) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL4743326 0.79 GNAI3 (0.49) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL27176584 0.79 CHRNB2 (0.61) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL25134091 0.79 GNAI3 (0.47) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL14406627 0.79 CHRNB2 (0.50) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1

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-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 US disclosed
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-03-14 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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 (3 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS GNAI3 2377/4885GNAO1 756/4885GNAI1 1500/4885
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, AOC2, CBR3 GNAI3 2434/4885GNAO1 2041/4885GNAI1 3319/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 GNAI3 2434/4885GNAO1 2041/4885GNAI1 3319/4885

“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.