SCHEMBL2991645

SCHEMBL2991645

CC(C)(C)OC(=O)NCCCNc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BRD4 O60885 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
EPHX2 P34913 1/20 0.49
EPHX1 P07099 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 4/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5891961 0.92 MAPK1 (0.53) MAPK1ALDH1A1LMNAPKMHPGD
SCHEMBL499872 0.87 RAB9A (0.54) MAPK1ALDH1A1LMNATSHRCYP1A2
SCHEMBL16024065 0.86 MAPT (0.51) LMNAHPGDSTK17BSTK17ACYP1A2
SCHEMBL10126690 0.85 MTNR1A (0.60) ALDH1A1LMNAPKMSTK17BSTK17A
SCHEMBL16024081 0.85 CA1 (0.49) STK17BSTK17ABRD4CA1CA2
SCHEMBL17471214 0.85 CA1 (0.49) STK17BSTK17ABRD4CA1CA2
SCHEMBL30849522 0.85 CA1 (0.52) ALDH1A1STK17BSTK17ABRD4CA1
SCHEMBL10126784 0.84 MEN1 (0.53) ALDH1A1STK17BSTK17ABRD4CA1
SCHEMBL13664868 0.83 STK17B (0.55) LMNASTK17BSTK17ABRD4CA1
SCHEMBL13664819 0.83 STK17B (0.52) LMNASTK17BSTK17ABRD4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
WO-2008156828-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156828-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100190829-A1 RENIN INHIBITORS ACE, REN, DNPEP MAPK1 3221/4885ALDH1A1 2175/4885LMNA 1952/4885

“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.