SCHEMBL462798

SCHEMBL462798

CN(C)CCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 5/20 0.65
▸ DRD5 P21918 2/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ DRD2 P14416 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ THPO P40225 1/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ SIGMAR1 Q99720 1/20 0.65
▸ LMNA P02545 1/20 0.64
▸ ADRB2 P07550 1/20 0.64
▸ GPR183 P32249 1/20 0.64
▸ APLNR P35414 1/20 0.64
▸ GLP1R P43220 1/20 0.64
▸ CX3CR1 P49238 1/20 0.64

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
SCHEMBL460269 0.99 DRD1 (0.64) DRD1DRD5CYP1A2CYP2D6DRD2
SCHEMBL13254785 0.81 DRD1 (0.72) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL29797998 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL2916216 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL11107859 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL30628012 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL16187032 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL29431888 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL29424268 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2
Sch-23390 SCHEMBL5722114 0.79 DRD1 (1.00) DRD1DRD5CYP1A2CYP2D6DRD2

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 17 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
EP-3919060-A1 ECOPIPAM FOR TREATMENT OF TOURETTES SYNDROME Emalex Biosciences, Inc. (US) 2021-12-08 — — 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
EP-3057595-A1 FUSED BENZAZEPINES FOR TREATMENT OF STUTTERING Psyadon Pharmaceuticals, Inc. (US) 2016-08-24 — — EP 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
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 disclosed
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 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 DRD1 28/4885DRD5 40/4885CYP1A2 704/4885
US-20210275540-A1 TREATMENT OF TOURETTE'S SYNDROME WITH ECOPIPAM COMT, SLC6A3, HTR5A DRD1 40/4885DRD5 46/4885CYP1A2 599/4885
US-20150164911-A1 Fused Benzazepines for Treatment of Tourette's Syndrome COMT, SLC6A3, HTR3A DRD1 30/4885DRD5 39/4885CYP1A2 612/4885

“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.

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