SCHEMBL2328355

SCHEMBL2328355

CN(C)C(=O)CC1(c2ccc(N)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
SLC6A2 P23975 6/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM1A O60341 1/20 0.35
CYP19A1 P11511 4/20 0.33
CYP3A4 P08684 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11A1 P05108 1/20 0.33
TBXAS1 P24557 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL8350886 0.86 HSD11B1 (0.43) HSD11B1ALDH1A1L3MBTL1SLC6A4SLC6A3
SCHEMBL2323515 0.81 KDM1A (0.39) HSD11B1OPRM1OPRL1KDM1ACYP1A2
SCHEMBL13364191 0.80 HSD11B1 (0.37) POLBHSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL2326140 0.80 HSD11B1 (0.37) POLBHSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL2326143 0.80 HSD11B1 (0.37) POLBHSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL8353680 0.80 L3MBTL1 (0.46) POLBHSD11B1ALDH1A1L3MBTL1OPRM1
SCHEMBL5645600 0.80 HSD11B1 (0.46) POLBHSD11B1ALDH1A1L3MBTL1SLC6A4
SCHEMBL27860794 0.79 GAA (0.48) POLBHSD11B1ALDH1A1L3MBTL1SLC6A4
SCHEMBL5643448 0.78 POLB (0.46) POLBHSD11B1ALDH1A1L3MBTL1SLC6A4
SCHEMBL3543773 0.77 HSD11B1 (0.44) HSD11B1L3MBTL1SLC6A4SLC6A3SLC6A2

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
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL POLB 1500/4885HSD11B1 1079/4885ALDH1A1 435/4885

“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.