SCHEMBL18366348

SCHEMBL18366348

CCn1nc(C(=O)O)c2c1CCC(C)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
BCHE P06276 1/20 0.37
HTT P42858 1/20 0.35
TMEM97 Q5BJF2 4/20 0.35
SIGMAR1 Q99720 3/20 0.35
HCAR2 Q8TDS4 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL18366347 0.89 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL18372656 0.81 RIPK1 (0.38) ALDH1A1KDM4ENPC1TSHRLMNA
SCHEMBL15564257 0.79 ALDH1A1 (0.34) ALDH1A1LMNAHTTTP53MAPT
SCHEMBL23642485 0.76 PSEN1 (0.38) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL30066529 0.74 HTT (0.35) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL17066963 0.73 NPC1 (0.40) ALDH1A1KDM4ENPC1TSHRLMNA
SCHEMBL4761262 0.72 NPC1 (0.37) ALDH1A1KDM4ENPC1TSHRLMNA
SCHEMBL19659108 0.69 RIPK1 (0.37) ALDH1A1TSHRLMNABCHETMEM97
SCHEMBL15564473 0.69 KLKB1 (0.33) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL31700120 0.68 ADORA1 (0.44) MAPT

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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 ALDH1A1 1195/4885KDM4E 3546/4885NPC1 541/4885

“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.