SCHEMBL5527006

SCHEMBL5527006

CC(=O)Oc1ccc2c(c1C(C)C)CCC1C(C)(C)CCC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 1.00
TP53 P04637 4/20 1.00
USP2 O75604 4/20 0.67
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPK1 P28482 2/20 0.67
HSP90AA1 P07900 1/20 0.67
KDM4E B2RXH2 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.55
PIP5K1A Q99755 5/20 0.54
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 2/20 0.51
CSNK2A3 Q8NEV1 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL3462790 1.00 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL30105648 0.80 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL285501 0.80 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL1839596 0.80 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL13423504 0.80 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL31121504 0.80 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL16238019 0.80 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
SCHEMBL20970940 0.72 USP2 (0.82) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL31287563 0.71 CYP3A4 (0.74) CYP3A4TP53USP2MAPTMEN1
SCHEMBL29669719 0.71 USP2 (0.68) CYP3A4TP53USP2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2021-12-28 US disclosed
US-20190134055-A1 Treatment of Addiction and Impulse-control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2019-05-09 US disclosed
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION 2016-01-21 US disclosed
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION 2016-01-21 US disclosed
US-9220715-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2015-12-29 US disclosed
US-9220715-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2015-12-29 US disclosed
US-9119822-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2015-09-01 US disclosed
US-9119822-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2015-09-01 US disclosed
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2013-10-10 US disclosed
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 US disclosed
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 US disclosed
WO-2010129036-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-11-11 WO disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 US disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 US disclosed
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 US disclosed
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 US disclosed
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-05-06 US disclosed
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-05-06 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 (9 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-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A CYP3A4 2394/4885TP53 4868/4885USP2 631/4885
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A CYP3A4 2394/4885TP53 4868/4885USP2 631/4885
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors PDE7B, PDE4C, PDE4A CYP3A4 2394/4885TP53 4868/4885USP2 631/4885
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A CYP3A4 4096/4885TP53 4849/4885USP2 795/4885
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C CYP3A4 4158/4885TP53 4031/4885USP2 1946/4885
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A CYP3A4 2394/4885TP53 4868/4885USP2 631/4885
US-20190134055-A1 Treatment of Addiction and Impulse-control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A CYP3A4 2394/4885TP53 4868/4885USP2 631/4885
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A CYP3A4 4096/4885TP53 4849/4885USP2 795/4885
US-20100179158-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C CYP3A4 4158/4885TP53 4031/4885USP2 1946/4885

“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.