SCHEMBL1397724

SCHEMBL1397724

Nc1ccc(C23CC4CC(C2)C(N)(C4)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 4/20 0.56
PGR P06401 5/20 0.54
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RAD52 P43351 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1397707 0.85 GRIN2D (0.63) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL2708459 0.81 ALDH1A1 (0.77) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL12402356 0.80 GRIN2D (0.39) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL1397714 0.80 GRIN2D (0.42) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL1397817 0.80 NPC1 (0.61) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL1397805 0.77 ALDH1A1 (0.40) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL1397879 0.77 PGR (0.36) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL8234225 0.76 ALDH1A1 (0.52) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL1397739 0.76 MEN1 (0.36) ALDH1A1LMNAPGRGRIN2DGRIN3B
SCHEMBL1397841 0.73 GRIN2D (0.36) ALDH1A1LMNAPGRGRIN2DGRIN3B

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
EP-2004601-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LAB LTD (IN) 2011-03-02 EP claimed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 US claimed

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-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 ALDH1A1 2103/4885LMNA 1938/4885PGR 3802/4885

“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.