SCHEMBL3742695

SCHEMBL3742695

CN1C2CCC1CC([C@@H](C(=O)O)N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
CHRM3 P20309 5/20 0.43
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
LMNA P02545 3/20 0.42
CYP2D6 P10635 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A2 P23975 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 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
SCHEMBL13045214 0.85 HTR3E (0.45) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3748640 0.85 HTR3E (0.45) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL14300371 0.82 CYP1A2 (0.53) CYP1A2LMNACYP2D6HSD17B10ALDH1A1
SCHEMBL6881201 0.80 HTR3E (0.42) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3738672 0.79 CTRB1 (0.46) CYP1A2ALDH1A1HTR2CGAASMN1; SMN2
SCHEMBL3747220 0.79 CYP1A2 (0.41) CYP1A2LMNACYP2D6HSD17B10MAPT
SCHEMBL3738687 0.77 CYP1A2 (0.39) CYP1A2CHRM3CHRM2CHRM1CHRM4
SCHEMBL13078569 0.75 PDE4A (0.48) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL8090235 0.75 PDE4A (0.48) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3759811 0.72 CHRNB4 (0.50) CYP1A2HTR3EHTR3BCHRNA7HTR3A

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
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
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 CYP1A2 1555/4885HTR3E 2498/4885HTR3B 1389/4885

“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.