SCHEMBL12966705

SCHEMBL12966705

CC[C@@H]1CCCN1CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A9 P48067 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR4 O95977 1/20 0.31
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL17618091 1.00 ATM (0.43) ATMMAPK1ALDH1A1CRHBPCRHR2
SCHEMBL12788429 1.00 ATM (0.43) ATMMAPK1ALDH1A1CRHBPCRHR2
SCHEMBL16939337 0.87 ATM (0.36) ATM
SCHEMBL16939208 0.87 ATM (0.36) ATM
SCHEMBL24503572 0.84 S1PR1 (0.39) ATMALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL12891026 0.82 POLB (0.42) ALDH1A1HRH3L3MBTL1KMT2AMEN1
SCHEMBL14922679 0.82 ATM (0.40) ATMMAPK1ALDH1A1CRHBPCRHR2
SCHEMBL12156688 0.82 POLB (0.42) ALDH1A1HRH3L3MBTL1KMT2AMEN1
SCHEMBL24997026 0.82 HRH3 (0.32) ATMHRH3
SCHEMBL12891024 0.82 POLB (0.42) ALDH1A1HRH3L3MBTL1KMT2AMEN1

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-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 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 (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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE ATM 4875/4885MAPK1 3525/4885ALDH1A1 1125/4885
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ATM 1926/4885MAPK1 2028/4885ALDH1A1 1381/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ATM 1926/4885MAPK1 2028/4885ALDH1A1 1381/4885

“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.