SCHEMBL2388934

SCHEMBL2388934

O=C(O)c1ccc(N2CCC3CC2CN3CC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 5/20 0.37
EPHX1 P07099 2/20 0.37
USP2 O75604 1/20 0.36
CCKBR P32239 4/20 0.35
P2RX7 Q99572 2/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL2387891 0.90 DRD2 (0.43) SRD5A2MEN1KMT2AEPHX2EPHX1
SCHEMBL2387528 0.85 HPGD (0.43) EPHX2CCKBR
SCHEMBL2405724 0.75 HPGD (0.45) EPHX2CCKBRDRD2DRD4DRD3
SCHEMBL2386841 0.72 USP2 (0.48) MEN1KMT2AUSP2DRD2DRD4
SCHEMBL2388459 0.69 SRD5A2 (0.46) SRD5A2MEN1KMT2AEPHX2
SCHEMBL1366894 0.68 ALDH1A1 (0.55) SRD5A2MEN1KMT2AUSP2DRD2
SCHEMBL2385932 0.66 HSP90AA1 (0.43) EPHX2
SCHEMBL2386234 0.65 BPTF (0.55) USP2
SCHEMBL2389213 0.65 DRD2 (0.49) MEN1KMT2AUSP2DRD2DRD4
SCHEMBL22442324 0.65 MGLL (0.47) SRD5A2MEN1KMT2AUSP2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SRD5A2 3094/4885MEN1 3502/4885KMT2A 3558/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SRD5A2 3094/4885MEN1 3502/4885KMT2A 3558/4885

“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.