SCHEMBL3746212

SCHEMBL3746212

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTR2C P28335 1/20 0.48
AGTR2 P50052 4/20 0.47
CHRM1 P11229 4/20 0.45
CYP2C19 P33261 1/20 0.44
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
KCNH2 Q12809 1/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CPB1 P15086 1/20 0.42

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
SCHEMBL3748271 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL11965219 0.91 HTR2C (0.50) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL11965224 0.87 HTR2C (0.53) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL1163483 0.85 CYP3A4 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCHRM1
SCHEMBL8079814 0.85 HTT (0.46) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL11965223 0.83 HTR2C (0.47) SMN1; SMN2HTR2CCYP2C19
SCHEMBL11965235 0.82 HTR2C (0.42) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL3744365 0.81 CTSL (0.50) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL3748764 0.81 CTSL (0.50) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL6882544 0.81 AGTR2 (0.43) SMN1; SMN2NPC1RAB9AHTR2CAGTR2

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 SMN1; SMN2 3321/4885NPC1 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.