SCHEMBL1743631

SCHEMBL1743631

CCOC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 16/20 0.68
BAK1 Q16611 5/20 0.68
BCL2L1 Q07817 12/20 0.60
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
HTR7 P34969 2/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL9988519 0.92 HTR7 (0.67) BCL2BAK1BCL2L1DRD2DRD4
SCHEMBL22169036 0.90 BCL2 (0.72) BCL2BAK1BCL2L1HTR7
SCHEMBL26648202 0.86 BCL2 (0.52) BCL2BAK1BCL2L1DRD2DRD4
SCHEMBL1741405 0.85 BCL2 (0.71) BCL2BAK1BCL2L1HTR7KDM4E
SCHEMBL29846744 0.85 BCL2 (0.71) BCL2BAK1BCL2L1HTR7KDM4E
SCHEMBL17350461 0.84 BCL2 (0.67) BCL2BAK1BCL2L1
SCHEMBL10226374 0.84 BCL2 (0.49) BCL2BAK1BCL2L1DRD2DRD4
SCHEMBL20778266 0.84 BCL2 (0.70) BCL2BAK1BCL2L1HTR7KDM4E
SCHEMBL30688260 0.84 BCL2 (0.70) BCL2BAK1BCL2L1HTR7KDM4E
SCHEMBL3954451 0.84 BCL2 (0.51) BCL2BAK1BCL2L1KDM4E

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123616-A1 INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS MERRIMACK PHARMACEUTICALS, INC. (US) 2017-07-20 WO disclosed
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 EP disclosed
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-01-07 US disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2511264-B1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC (US) 2015-03-11 EP disclosed
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2013-07-18 US disclosed
US-8426422-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-04-23 US disclosed
US-8338466-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100184750-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
WO-2009036051-A1 BCL-2 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (5 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-20100184750-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885BAK1 9/4885BCL2L1 4/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 BCL2 59/4885BAK1 324/4885BCL2L1 358/4885
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885BAK1 9/4885BCL2L1 4/4885
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885BAK1 10/4885BCL2L1 4/4885
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885BAK1 9/4885BCL2L1 4/4885

“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.