SCHEMBL4159697

SCHEMBL4159697

COC(=O)CN(C(C)=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8480363 0.83 SLC6A4 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL8480360 0.81 SLC6A4 (0.43) ALDH1A1
SCHEMBL16935877 0.80 PYGL (0.43) ALDH1A1KDM4EPDE2APDE3BPDE3A
SCHEMBL6628285 0.79 L3MBTL1 (0.46) EPHX2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL7296171 0.79 NPSR1 (0.46) EPHX2ALDH1A1TSHRLMNANPSR1
SCHEMBL5634109 0.79
SCHEMBL3525420 0.79 EPHX2 (0.39) EPHX2ALDH1A1PDE2APDE3BPDE3A
SCHEMBL18469983 0.78 NPSR1 (0.45) EPHX2ALDH1A1TSHRLMNANPSR1
SCHEMBL9615293 0.78 ALDH1A1 (0.41) EPHX2ALDH1A1PDE2APDE3BPDE3A
SCHEMBL2932705 0.77

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-20090124820-A1 C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin PFIZER INC. 2009-05-14 US disclosed
US-7375241-B2 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS A.G. (CH) 2008-05-20 US disclosed
EP-1692151-B1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE SOLVIAS AG (CH) 2007-09-12 EP disclosed
EP-1727620-B1 C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2007-08-29 EP disclosed
US-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS AG (CH) 2007-06-21 US disclosed
EP-1692151-A1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE Solvias AG (CH) 2006-08-23 EP disclosed
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin BAO JIAN 2005-10-13 US disclosed
WO-2005056568-A1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE SOLVIAS AG (CH) 2005-06-23 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 (3 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-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use PHOSPHO1, INPP5B, PPA1 EPHX2 1156/4885ALDH1A1 2167/4885KDM4E 3839/4885
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin GABRA5, CNR1, GABRE EPHX2 1888/4885ALDH1A1 1007/4885KDM4E 2676/4885
US-20090124820-A1 C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin GABRE, GABRP, GABRA5 EPHX2 1547/4885ALDH1A1 1408/4885KDM4E 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.