SCHEMBL3748640

SCHEMBL3748640

COC(=O)C(C1CC2CCC(C1)N2C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNA7 P36544 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SLC6A3 Q01959 6/20 0.44
SLC6A4 P31645 4/20 0.44
LMNA P02545 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM2 P08172 4/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
SLC6A2 P23975 4/20 0.41
CHRM4 P08173 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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 1.00 HTR3E (0.45) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3742695 0.85 CYP1A2 (0.49) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3747970 0.82 HTR2C (0.43) CHRM5CHRM1CHRM4SMN1; SMN2HTR2C
SCHEMBL13045367 0.82 HTR2C (0.43) CHRM5CHRM1CHRM4SMN1; SMN2HTR2C
SCHEMBL3742617 0.82 CNR2 (0.39) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3751320 0.81 CHRM1 (0.38) LMNACHRM2CHRM5CHRM1CHRM3
SCHEMBL3742026 0.81 PRMT5 (0.35) SLC6A3SLC6A4MEN1KMT2ATSHR
SCHEMBL3752920 0.81 CHRM1 (0.38) LMNACHRM2CHRM5CHRM1CHRM3
SCHEMBL3747804 0.81 ELOVL6 (0.51) CYP2C9CHRM5SMN1; SMN2TDP1KDM4E
SCHEMBL13078569 0.79 PDE4A (0.48) HTR3EHTR3BCHRNA7HTR3AHTR3D

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
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
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2012-08-09 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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 (2 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-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS DPP4, DPP8, DPP7 HTR3E 2523/4885HTR3B 2060/4885CHRNA7 2795/4885
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 HTR3E 2498/4885HTR3B 1389/4885CHRNA7 4439/4885

“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.