SCHEMBL13045367

SCHEMBL13045367

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTRB1 P17538 1/20 0.41
AGTR2 P50052 6/20 0.41
HTT P42858 2/20 0.41
PREP P48147 1/20 0.40
TACR3 P29371 1/20 0.39
CHRM1 P11229 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 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
SCHEMBL3747970 1.00 HTR2C (0.43) HTR2CNPC1RAB9ASMN1; SMN2CTRB1
SCHEMBL3738672 0.91 CTRB1 (0.46) HTR2CNPC1RAB9ASMN1; SMN2CTRB1
SCHEMBL8085847 0.85 HTT (0.42) HTR2CNPC1RAB9ASMN1; SMN2CTRB1
SCHEMBL8089110 0.85 HTT (0.42) HTR2CNPC1RAB9ASMN1; SMN2CTRB1
SCHEMBL3752920 0.85 CHRM1 (0.38) HTR2CCHRM1CHRM4CHRM5
SCHEMBL3751320 0.85 CHRM1 (0.38) HTR2CCHRM1CHRM4CHRM5
SCHEMBL3738309 0.85 HTR2C (0.39) HTR2CNPC1RAB9ASMN1; SMN2CTRB1
SCHEMBL3805515 0.85 HTR2C (0.39) HTR2CNPC1RAB9ASMN1; SMN2CTRB1
SCHEMBL11965219 0.82 HTR2C (0.50) HTR2CNPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL3748640 0.82 HTR3E (0.45) HTR2CSMN1; SMN2CHRM1CHRM4CHRM5

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 2 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

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 HTR2C 2412/4885NPC1 1434/4885RAB9A 3124/4885

“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.