SCHEMBL9894732

SCHEMBL9894732

CCCCc1cn(CCO)c(C2CCNCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.33
HDAC1 Q13547 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
PDPK1 O15530 1/20 0.32
PIK3CA P42336 1/20 0.32
TLR8 Q9NR97 1/20 0.32
SYK P43405 1/20 0.31

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
Hydrochloric Acid SCHEMBL16457130 0.99 MEN1 (0.35) KDM1AHDAC1GABRA1GABRB2MEN1
Hydrochloric Acid SCHEMBL16457694 0.91 MEN1 (0.36) KDM1AGABRA1GABRB2MEN1KMT2A
SCHEMBL9927821 0.87 GABRA1 (0.35) KDM1AGABRA1GABRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL1662810 0.85 MEN1 (0.38) KDM1AGABRA1GABRB2MEN1KMT2A
SCHEMBL9894416 0.84 RPS6KB1 (0.43)
Hydrochloric Acid SCHEMBL16457146 0.83 RPS6KB1 (0.42)
Hydrochloric Acid SCHEMBL16457163 0.79 GABRA1 (0.38) GABRA1GABRB2MEN1KMT2AJAK2
SCHEMBL1662908 0.78 CCR3 (0.34) GABRA1GABRB2MEN1KMT2AJAK2
Hydrochloric Acid SCHEMBL1662533 0.77 CCR3 (0.33) GABRA1GABRB2MEN1KMT2AJAK2
Hydrochloric Acid SCHEMBL16457153 0.76 MEN1 (0.35) KDM1AGABRA1GABRB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 KDM1A 1810/4885HDAC1 280/4885GABRA1 4243/4885

“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.