SCHEMBL12414740

SCHEMBL12414740

Cc1nc2n(c(=O)c1C(C)C)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 3/20 0.42
NPC1 O15118 4/20 0.40
HSD17B10 Q99714 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL23022394 0.83 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL13360504 0.78 POLB (0.44) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL13360488 0.75 POLB (0.48) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL6493190 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2616364 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL5623016 0.74 DRD2 (0.48) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL19006734 0.73 POLB (0.52) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL10239182 0.73 POLB (0.52) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL11193250 0.73 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL460865 0.72 DRD2 (0.49) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 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-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ALDH1A1 307/4885SMN1; SMN2 1614/4885MAPK1 2549/4885

“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.