Sugi Predict

Sugi Predict / Compounds / SCHEMBL3752920

SCHEMBL3752920

SCHEMBL3752920

COC(=O)[C@H](C1CC2CCC(C1)N2C(=O)OCC(Cl)(Cl)Cl)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 15/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRM4 P08173 4/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM2 P08172 3/20 0.33
▸ CHRM3 P20309 3/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ ADRA1D P25100 1/20 0.33

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
SCHEMBL3751320 1.00 CHRM1 (0.38) CHRM1L3MBTL1CHRM4CHRM5CHRM2
SCHEMBL3738687 0.90 CYP1A2 (0.39) CHRM1L3MBTL1CHRM4CHRM5CHRM2
SCHEMBL8091030 0.85 PDE4A (0.39) CHRM1L3MBTL1CHRM4CHRM5
SCHEMBL3747970 0.85 HTR2C (0.43) CHRM1CHRM4CHRM5HTR2C
SCHEMBL13045367 0.85 HTR2C (0.43) CHRM1CHRM4CHRM5HTR2C
SCHEMBL3748640 0.81 HTR3E (0.45) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL13045214 0.81 HTR3E (0.45) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL3747804 0.77 ELOVL6 (0.51) CHRM5KDM4EPOLB
SCHEMBL3742617 0.77 CNR2 (0.39) L3MBTL1KMT2AKDM4EMEN1LMNA
SCHEMBL3742026 0.76 PRMT5 (0.35) L3MBTL1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 — — US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 — — US claimed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 — — WO claimed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 — — US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 — — US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 — — US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 — — US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 — — 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 CHRM1 4371/4885L3MBTL1 3160/4885CHRM4 3286/4885

“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.