SCHEMBL5529607

SCHEMBL5529607

NCC1(CC(=O)O)CC2CC2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
CACNA2D1 P54289 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.38
HSD11B1 P28845 2/20 0.36
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
SLC6A12 P48065 3/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
GLRA1 P23415 1/20 0.31
SLC6A9 P48067 1/20 0.31
OR51E2 Q9H255 1/20 0.31
GABRR1 P24046 4/20 0.30

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
SCHEMBL6879832 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5392232 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6056281 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5406229 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5384869 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL14459057 0.91 CYP1A2 (0.50) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7432467 0.89 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL23355288 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL2592513 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5388086 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders OMEROS CORPORATION (US) 2014-06-26 US disclosed
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders OMEROS CORPORATION (US) 2014-06-26 US disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005051384-A1 STABILISED PHARMACEUTICAL COMPOSITIONS PFIZER LIMITED (GB) 2005-06-09 WO disclosed
WO-2005027975-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS PFIZER LIMITED (GB) 2005-03-31 WO disclosed
WO-2005025675-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND SEROTONIN / NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2005-03-24 WO disclosed
WO-2004053192-A9 ORALLY ADMINISTERED DOSAGE FORMS OF FUSED GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT INC (US) 2004-11-04 WO disclosed
US-20040162351-A1 Orally administered dosage forms of fused GABA analog prodrugs having reduced toxicity XENOPORT, INC. 2004-08-19 US disclosed
US-20040147455-A1 Prodrugs of fused GABA analogs, pharmaceutical compositions and uses thereof XENOPORT, INC. 2004-07-29 US disclosed
WO-2004052360-A1 PRODRUGS OF FUSED GABA ANALOGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
WO-2004053192-A1 ORALLY ADMINISTERED DOSAGE FORMS OF FUSED GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT, INC. (US) 2004-06-24 WO disclosed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 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-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A CYP1A2 1067/4885ALDH1A1 886/4885USP2 631/4885
US-20160015715-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A CYP1A2 2696/4885ALDH1A1 1653/4885USP2 795/4885
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders PARK7, PDE7B, PDE7A CYP1A2 2696/4885ALDH1A1 1653/4885USP2 795/4885
US-20040162351-A1 Orally administered dosage forms of fused GABA analog prodrugs having reduced toxicity GABRB1, GABRB2, GABRB3 CYP1A2 80/4885ALDH1A1 45/4885USP2 1303/4885
US-20040147455-A1 Prodrugs of fused GABA analogs, pharmaceutical compositions and uses thereof GABRB1, GABRB2, GABRB3 CYP1A2 245/4885ALDH1A1 380/4885USP2 1416/4885

“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.