SCHEMBL12413724

SCHEMBL12413724

CC(C)CC(=O)N1CCC(CN)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
NCF1 P14598 1/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL12414842 0.90 SMN1; SMN2 (0.43) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12413708 0.90 SMN1; SMN2 (0.43) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL14147196 0.88 NCF1 (0.42) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL864304 0.84 POLB (0.50) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12086276 0.84 POLB (0.54) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL3317282 0.82 POLB (0.49) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12413725 0.81 POLB (0.51) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL22151607 0.81 POLB (0.51) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12258944 0.81 POLB (0.47) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12413719 0.80 ALDH1A1 (0.41) POLBNPSR1L3MBTL1PTPN1KDM4E

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
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 POLB 2094/4885NPSR1 232/4885L3MBTL1 4515/4885

“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.