SCHEMBL2387891

SCHEMBL2387891

O=C(O)c1ccc(N2C[C@@H]3C[C@H]2CN3CC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCKBR P32239 4/20 0.37
P2RX7 Q99572 3/20 0.37
EPHX2 P34913 3/20 0.37
SRD5A2 P31213 2/20 0.35
EPHX1 P07099 1/20 0.34
LTA4H P09960 1/20 0.34
ALOX5 P09917 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL2388934 0.90 SRD5A2 (0.38) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL2405724 0.84 HPGD (0.45) DRD2DRD4DRD3CCKBREPHX2
SCHEMBL2388039 0.84 HPGD (0.45) DRD2DRD4DRD3CCKBREPHX2
SCHEMBL2388459 0.77 SRD5A2 (0.46) MEN1KMT2AEPHX2SRD5A2
SCHEMBL2387528 0.75 HPGD (0.43) CCKBREPHX2
SCHEMBL1366894 0.73 ALDH1A1 (0.55) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL2386841 0.72 USP2 (0.48) DRD2DRD4MEN1KMT2A
SCHEMBL2388952 0.67 EPHX2 (0.58) MEN1KMT2AP2RX7EPHX2ALOX5
SCHEMBL22442324 0.67 MGLL (0.47) MEN1KMT2ASRD5A2NR1H4
SCHEMBL8056506 0.67 MEN1 (0.59) MEN1KMT2AP2RX7EPHX2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 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
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 DRD2 4630/4885DRD4 4577/4885DRD3 4735/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 DRD2 4630/4885DRD4 4577/4885DRD3 4735/4885

“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.