SCHEMBL462517

SCHEMBL462517

COc1cc2c(cc1O)C(Cc1cc(OC)c(OC)cc1Br)N(C)CC2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.65
DRD1 P21728 1/20 0.65
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
KCNH2 Q12809 2/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
DRD3 P35462 1/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP2D6 P10635 1/20 0.56
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
KCNN2 Q9H2S1 3/20 0.54
KCNN3 Q9UGI6 3/20 0.54
KCNN1 Q92952 1/20 0.54

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
SCHEMBL29935414 1.00 DRD2 (0.65) DRD2DRD1BCHEACHEKCNH2
SCHEMBL11710814 0.86 DRD2 (0.65) DRD2DRD1BCHEACHEKCNH2
SCHEMBL16807897 0.86 DRD2 (0.55) DRD2DRD1BCHEACHEKCNH2
Hydrochloric Acid SCHEMBL11708619 0.85 DRD2 (0.64) DRD2DRD1BCHEACHEKCNH2
Hydrochloric Acid SCHEMBL11707551 0.84 DRD2 (0.60) DRD2DRD1BCHEACHEKCNH2
SCHEMBL29496803 0.83 DRD2 (0.70) DRD2DRD1BCHEACHEKCNH2
Codamine SCHEMBL15696578 0.81 DRD2 (0.91) DRD2DRD1BCHEACHEKCNH2
Codamine SCHEMBL30720053 0.81 DRD2 (0.91) DRD2DRD1BCHEACHEKCNH2
Codamine SCHEMBL680513 0.81 DRD2 (0.91) DRD2DRD1BCHEACHEKCNH2
SCHEMBL11708395 0.81 DRD2 (0.56) DRD2DRD1BCHEACHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058551-A1 USE OF D1/D5 ANTAGONISTS FOR TREATING OBSESSIVE COMPULSIVE DISORDERS, SOMATOFORM DISORDERS, DISSOCIATIVE DISORDERS, EATING DISORDERS, IMPULSE CONTROL DISORDERS AND AUTISM SCHERING CORPORATION (US) 2000-12-13 EP claimed
WO-1999044615-A1 USE OF D1/D5 ANTAGONISTS FOR TREATING OBSESSIVE COMPULSIVE DISORDERS, SOMATOFORM DISORDERS, DISSOCIATIVE, EATING DISORDERS, IMPULSE CONTROL DISORDERS AND AUTISM SCHERING CORPORATION (US) 1999-09-10 WO claimed
EP-2872145-B1 FUSED BENZAZEPINES FOR TREATMENT OF TOURETTE'S SYNDROME EMALEX BIOSCIENCES INC (US) 2022-03-09 EP disclosed
US-20210275540-A1 TREATMENT OF TOURETTE'S SYNDROME WITH ECOPIPAM EMALEX BIOSCIENCES INC (US) 2021-09-09 US disclosed
EP-3057595-B1 FUSED BENZAZEPINES FOR TREATMENT OF STUTTERING EMALEX BIOSCIENCES INC (US) 2020-04-29 EP disclosed
US-9949983-B2 Fused benzazepines for treatment of stuttering PSYADON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20160271141-A1 FUSED BENZAZEPINES FOR TREATMENT OF STUTTERING Psyadon Pharmaceuticals ,Inc. 2016-09-22 US disclosed
US-20160271141-A1 FUSED BENZAZEPINES FOR TREATMENT OF STUTTERING Psyadon Pharmaceuticals ,Inc. 2016-09-22 US disclosed
US-20150164911-A1 Fused Benzazepines for Treatment of Tourette's Syndrome HORIZON TECHNOLOGY FINANCE CORPORATION 2015-06-18 US disclosed
US-20150164911-A1 Fused Benzazepines for Treatment of Tourette's Syndrome HORIZON TECHNOLOGY FINANCE CORPORATION 2015-06-18 US disclosed
WO-2015058053-A1 FUSED BENZAZEPINES FOR TREATMENT OF STUTTERING PSYADON PHARMACEUTICALS, INC. (US) 2015-04-23 WO disclosed
WO-2012033874-A1 METHOD OF TREATING COMPULSIVE SELF-INJURIOUS BEHAVIORS CHIPKIN RICHARD E (US) 2012-03-15 WO disclosed
US-6410527-B1 PSYCHOLOGICAL DISORDERS SCHERING CORPORATION 2002-06-25 US disclosed
US-20010025038-A1 Administering to the mammal an effective amount of a D1/D5 (dopamine) antagonist or a D1/D5 partial agonist for reducing cravings of food or an addictive substance COFFIN VICKI L (US) 2001-09-27 US disclosed
US-6262049-B1 REDUCING THE CRAVINGS OF A MAMMAL TO ANY DOPAMINE MEDIATED CRAVINGS INCLUDING FOOD OR ADDICTIVE SUBSTANCES. SCHERING CORPORATION 2001-07-17 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 (3 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-20160271141-A1 FUSED BENZAZEPINES FOR TREATMENT OF STUTTERING TACR1, AVPR1A, AVPR1B DRD2 9/4885DRD1 28/4885BCHE 487/4885
US-20210275540-A1 TREATMENT OF TOURETTE'S SYNDROME WITH ECOPIPAM COMT, SLC6A3, HTR5A DRD2 14/4885DRD1 40/4885BCHE 3560/4885
US-20150164911-A1 Fused Benzazepines for Treatment of Tourette's Syndrome COMT, SLC6A3, HTR3A DRD2 8/4885DRD1 30/4885BCHE 1197/4885

“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.