SCHEMBL1955985

SCHEMBL1955985

COC(=O)c1ccc(N2CCNCC2)cc1Oc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
ADRB1 P08588 2/20 0.52
CYP2C9 P11712 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
TP53 P04637 1/20 0.52
HTR1A P08908 1/20 0.52
CYP2D6 P10635 1/20 0.52
THRB P10828 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTT P42858 1/20 0.52
HTR3A P46098 1/20 0.52
HTR6 P50406 1/20 0.52
HTR3D Q70Z44 1/20 0.52

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
SCHEMBL1955673 0.89 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19ADRB1CYP2C9
SCHEMBL1955377 0.88 LTA4H (0.53) CYP2C19ADRB1CYP2C9HTR3EHTR3B
SCHEMBL1958958 0.87 ADRB1 (0.47) CYP1A2ADRB1HTR3EHTR3BHTR1A
SCHEMBL1961177 0.87 ADRB1 (0.47) ADRB1HTR3EHTR3BHTR1AHTR2C
SCHEMBL1954931 0.85 LTA4H (0.40) CYP1A2CYP3A4CYP2C19ADRB1CYP2C9
SCHEMBL1959502 0.83 HTR1A (0.46) CYP1A2CYP3A4CYP2C19ADRB1CYP2C9
Tert-Butyl Formate SCHEMBL27833628 0.82 LMNA (0.42) CYP1A2CYP3A4CYP2C19ADRB1CYP2C9
SCHEMBL8257463 0.80 ABCB1 (0.53) ADRB1HTR3EHTR3BHTR1AHTR7
Tert-Butyl Formate SCHEMBL27850274 0.80 LTA4H (0.44) ADRB1HTR1ASLC6A4HTR7HTR6
SCHEMBL7653332 0.79 ADRB1 (0.58) CYP1A2CYP3A4CYP2C19ADRB1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
EP-2376197-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2017-02-15 EP disclosed
EP-3112361-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2017-01-04 EP disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 US disclosed
US-9303025-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-04-05 US disclosed
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES 2015-07-02 US disclosed
US-9029404-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-12 US disclosed
US-8952157-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-02-10 US disclosed
EP-2507211-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2014-06-18 EP disclosed
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2014-03-27 US disclosed
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-03-06 US disclosed
US-8557983-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-10-15 US disclosed
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 CN disclosed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP 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-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 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 (7 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CYP1A2 4440/4885CYP3A4 4775/4885CYP2C19 4870/4885

“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.