SCHEMBL14768807

SCHEMBL14768807

CC(C)(C)NC[C@H]1CC[C@H](O)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.38
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
SHBG P04278 1/20 0.32
DPP4 P27487 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
SCHEMBL13999522 1.00 SAT1 (0.38) SAT1JAK2JAK1TYK2TDP1
SCHEMBL13999524 1.00 SAT1 (0.38) SAT1JAK2JAK1TYK2TDP1
SCHEMBL8259142 0.88
SCHEMBL14176504 0.88 SAT1 (0.39) SAT1JAK2JAK1TYK2TDP1
SCHEMBL24775478 0.87 CYP3A4 (0.33) SAT1
SCHEMBL13999478 0.82 SAT1 (0.38) SAT1JAK2JAK1TYK2TDP1
SCHEMBL23509269 0.81 SAT1 (0.34) SAT1SHBGDPP4
SCHEMBL24775165 0.79 SAT1 (0.39) SAT1JAK2JAK1TYK2
SCHEMBL24775183 0.79 SAT1 (0.34) SAT1JAK2JAK1TYK2
SCHEMBL25743739 0.79 SAT1 (0.34) SAT1JAK2JAK1TYK2

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-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 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 (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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 SAT1 4790/4885JAK2 439/4885JAK1 2705/4885
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 SAT1 995/4885JAK2 13/4885JAK1 8/4885

“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.