SCHEMBL3738672

SCHEMBL3738672

O=C(O)[C@H](C1CC2CCC(C1)N2C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.46
HTR2C P28335 1/20 0.43
AGTR2 P50052 6/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TACR3 P29371 1/20 0.39
POLB P06746 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
SCHEMBL13045367 0.91 HTR2C (0.43) CTRB1HTR2CAGTR2SMN1; SMN2NPC1
SCHEMBL3747970 0.91 HTR2C (0.43) CTRB1HTR2CAGTR2SMN1; SMN2NPC1
SCHEMBL3738687 0.85 CYP1A2 (0.39) HTR2CGAAALDH1A1CYP1A2POLB
SCHEMBL8089110 0.82 HTT (0.42) CTRB1HTR2CAGTR2SMN1; SMN2NPC1
SCHEMBL8085847 0.82 HTT (0.42) CTRB1HTR2CAGTR2SMN1; SMN2NPC1
SCHEMBL11965224 0.79 HTR2C (0.53) HTR2CAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL3742695 0.79 CYP1A2 (0.49) HTR2CGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL3805515 0.78 HTR2C (0.39) CTRB1HTR2CAGTR2ALDH1A1SMN1; SMN2
SCHEMBL3738309 0.78 HTR2C (0.39) CTRB1HTR2CAGTR2ALDH1A1SMN1; SMN2
SCHEMBL25125018 0.77 HTR2C (0.61) HTR2CAGTR2ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CTRB1 352/4885HTR2C 2412/4885AGTR2 97/4885

“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.