SCHEMBL12414847

SCHEMBL12414847

CC(C)CC(=O)N1CC[C@@H](N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5744444 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12414849 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12414840 0.90 SMN1; SMN2 (0.43) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12413723 0.90 SMN1; SMN2 (0.43) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12414841 0.90 SMN1; SMN2 (0.43) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12413725 0.89 POLB (0.51) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12578181 0.84 GNAI3 (0.47) POLBGNAI3GNAO1GNAI1KDM1A
SCHEMBL15490019 0.84 DPP4 (0.51) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL30333643 0.84 DPP4 (0.51) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL23986710 0.80 DPP4 (0.51) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1

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 4 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-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
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 SMN1; SMN2 1994/4885POLB 2094/4885NPSR1 232/4885

“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.