SCHEMBL9921641

SCHEMBL9921641

CCC(C)[C@H]1CN(C(=O)c2ccc(C)s2)CC[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SLC18A3 Q16572 3/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
YEATS4 O95619 1/20 0.35

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
SCHEMBL9918291 0.88 ALDH1A1 (0.50) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL9918314 0.88 ALDH1A1 (0.50) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL9921710 0.81 HPGD (0.56) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL14625164 0.77 HPGD (0.57) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL328077 0.76 ALDH1A1 (0.50) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL12832911 0.75 ALDH1A1 (0.52) ALDH1A1HPGDLMNAL3MBTL3L3MBTL1
SCHEMBL9920478 0.75 ALDH1A1 (0.52) ALDH1A1HPGDLMNAL3MBTL3L3MBTL1
SCHEMBL279955 0.73 HPGD (0.56) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL279839 0.71 ALDH1A1 (0.53) ALDH1A1HPGDLMNAGAASLC18A3
SCHEMBL27387680 0.70 ALDH1A1 (0.58) ALDH1A1HPGDLMNAGAASLC18A3

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885HPGD 545/4885LMNA 4638/4885

“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.