SCHEMBL1619093

SCHEMBL1619093

CC(C)(C)CCC(N)CN

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 2/20 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
SCHEMBL15553588 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20921679 0.79 RIPK1 (0.30) RIPK1
SCHEMBL24706040 0.78 RIPK1 (0.32) RIPK1
SCHEMBL12225486 0.78 RIPK1 (0.32) RIPK1
SCHEMBL10211245 0.76 RIPK1 (0.34) RIPK1
SCHEMBL11238127 0.76 RIPK1 (0.34) RIPK1
SCHEMBL12225485 0.76 RIPK1 (0.31) RIPK1
SCHEMBL24298351 0.76 RIPK1 (0.34) RIPK1
SCHEMBL18822648 0.76 ALDH1A1 (0.38) ALDH1A1RIPK1
SCHEMBL13732695 0.74 CETP (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-09-01 US disclosed
US-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 US disclosed
EP-2064192-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS Infinity Discovery, Inc. (US) 2009-06-03 EP disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 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-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 ALDH1A1 4058/4885RIPK1 348/4885

“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.