SCHEMBL13397240

SCHEMBL13397240

CC(C)N(C1CCOCC1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.48
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 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
SCHEMBL25075546 0.89 PIK3CD (0.39) PIK3CD
SCHEMBL9963391 0.84 ADH1B (0.39) ADH1BADH1CADH1A
SCHEMBL19017675 0.80 ADH1B (0.31) PIK3CDADH1BADH1CADH1A
SCHEMBL25075545 0.78 ADH1A (0.46) ADH1BADH1CADH1A
SCHEMBL13397251 0.77 PIK3CD (0.50) PIK3CDADH1BADH1CADH1A
SCHEMBL4569254 0.75 PIK3CD (0.54) PIK3CD
SCHEMBL12250815 0.74 ADH1A (0.54) ADH1BADH1CADH1A
SCHEMBL13397409 0.72 ADH1B (0.32) ADH1BADH1CADH1A
SCHEMBL2476512 0.70 ADH1A (0.56) ADH1BADH1CADH1A
SCHEMBL12250814 0.70 ADH1A (0.56) ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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 (2 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 PIK3CD 14/4885ADH1B 3148/4885ADH1C 2786/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD PIK3CD 3849/4885ADH1B 1255/4885ADH1C 2915/4885

“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.