SCHEMBL3748360

SCHEMBL3748360

CCC12CCCC(CC(Cc3ccccc3)C1)N2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
SLC18A3 Q16572 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL8912102 0.71 USP2 (0.40) HRH3L3MBTL1LMNAKMT2AMEN1
SCHEMBL3748363 0.67 L3MBTL1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL22032104 0.67
SCHEMBL22032097 0.67 NAMPT (0.36)
SCHEMBL29937437 0.67 CHRM3 (0.41) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL13791960 0.66 OPRM1 (0.54)
SCHEMBL30967999 0.66
SCHEMBL22032069 0.66 NAMPT (0.35) KMT2AMEN1
SCHEMBL25433178 0.66 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMT2AGAA
SCHEMBL4591913 0.65 MEN1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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
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-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 HRH3 4438/4885ALDH1A1 634/4885L3MBTL1 3160/4885

“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.