SCHEMBL9921960

SCHEMBL9921960

CC(CC#N)CC1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
HRH3 Q9Y5N1 3/20 0.33
HRH4 Q9H3N8 2/20 0.33
KDM1A O60341 2/20 0.32
EED O75530 1/20 0.32
CTSK P43235 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS1 P29475 3/20 0.30
NOS2 P35228 3/20 0.30
EPHX1 P07099 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
SCHEMBL9921746 0.80 CTSK (0.42) CTSK
SCHEMBL9921684 0.80 CTSK (0.42) CTSK
SCHEMBL8237860 0.80 CPN1 (0.50) CPN1CPB2HRH3HRH4EED
SCHEMBL435998 0.80 CPN1 (0.50) CPN1CPB2HRH3HRH4EED
SCHEMBL9882398 0.80 CPN1 (0.50) CPN1CPB2HRH3HRH4EED
SCHEMBL24843785 0.79 CPN1 (0.46) CPN1CPB2HRH3HRH4EED
SCHEMBL22751974 0.79 CPN1 (0.46) CPN1CPB2HRH3HRH4EED
Hydrochloric Acid SCHEMBL991509 0.78 CPN1 (0.49) CPN1CPB2HRH3HRH4EED
SCHEMBL22752087 0.76 CPN1 (0.44) CPN1CPB2HRH3HRH4EED
SCHEMBL18922375 0.76 CPN1 (0.44) CPN1CPB2HRH3HRH4EED

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 CPN1 3320/4885CPB2 3855/4885HRH3 1462/4885

“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.