SCHEMBL1700511

SCHEMBL1700511

O=C1CCC(CN(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3372477 0.89 HDAC1 (0.58) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL2840174 0.88 MEN1 (0.50) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL8773484 0.84 HDAC1 (0.61) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL5722085 0.83 HDAC1 (0.53) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL5722086 0.83 HDAC1 (0.53) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL7283605 0.82 OPRM1 (0.47) MEN1KMT2AKDM4E
SCHEMBL393116 0.81 HDAC1 (0.52) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL2009587 0.81 GBA1 (0.53) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL5030087 0.81 HDAC1 (0.52) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL21400325 0.78 HDAC1 (0.55) MEN1KMT2APKMHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174982-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-11-03 US disclosed
US-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. 2015-06-11 US disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 US disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 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 (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-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 MEN1 4081/4885KMT2A 4097/4885PKM 3763/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MEN1 3502/4885KMT2A 3558/4885PKM 4645/4885

“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.