SCHEMBL6848622

SCHEMBL6848622

C[C@H]1CC(N)CCC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16683729 1.00 CDK5 (0.32) CDK5CDK5R1KMT2A
SCHEMBL9290695 1.00 CDK5 (0.32) CDK5CDK5R1KMT2A
SCHEMBL10261160 1.00 CDK5 (0.32) CDK5CDK5R1KMT2A
SCHEMBL15112165 0.78 CDK5 (0.31) CDK5CDK5R1KMT2A
SCHEMBL15112163 0.78 CDK5 (0.31) CDK5CDK5R1KMT2A
SCHEMBL936189 0.78 CDK5 (0.31) CDK5CDK5R1KMT2A
SCHEMBL32686646 0.77 CDK5 (0.33) CDK5CDK5R1KMT2A
Hydrochloric Acid SCHEMBL15411561 0.76 KMT2A (0.33) CDK5CDK5R1KMT2A
SCHEMBL21562528 0.76
Hydrochloric Acid SCHEMBL15112167 0.76 KMT2A (0.33) CDK5CDK5R1KMT2A

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-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
WO-2011010682-A1 STEROL DERIVATIVE 協和発酵キリン株式会社 (JP) 2011-01-27 WO 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-20120172348-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 CDK5 4144/4885CDK5R1 3179/4885KMT2A 3380/4885

“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.