SCHEMBL2390136

SCHEMBL2390136

CCOC(=O)c1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
NPSR1 Q6W5P4 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
TSHR P16473 2/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 3/20 0.62
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H4 Q96RI1 2/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD11B1 P28845 3/20 0.50
KDM4E B2RXH2 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL2386437 0.86 MEN1 (0.51) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2386293 0.85 ALDH1A1 (0.60) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2389173 0.84 HSD11B1 (0.52) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2384658 0.83 HPGD (0.50) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2388248 0.81 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2384471 0.81 ALDH1A1 (0.77) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2387317 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL20188098 0.81 HPGD (0.65) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL22015905 0.81 HPGD (0.65) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL2424982 0.81 ALDH1A1 (0.55) ALDH1A1NPSR1SMN1; SMN2TSHRHTT

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 ALDH1A1 4257/4885NPSR1 4799/4885SMN1; SMN2 2848/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885NPSR1 4799/4885SMN1; SMN2 2848/4885

“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.