SCHEMBL1193073

SCHEMBL1193073

COc1ccccc1N1CCN(CCO)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.75
DRD3 P35462 2/20 0.71
HTR1A P08908 4/20 0.69
ADRA1D P25100 1/20 0.69
ADRA1A P35348 1/20 0.69
ADRA1B P35368 1/20 0.69
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTR7 P34969 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL1193323 0.91 DRD2 (0.76) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL1193550 0.90 HTR1A (0.77) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL10415968 0.88 HTR1A (0.75) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6526368 0.87 DRD2 (0.85) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL3261221 0.86 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8363314 0.86 DRD2 (0.77) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL31060769 0.86 DRD2 (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL9293656 0.85 DRD2 (0.66) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL1253155 0.84 DRD2 (0.75) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL4404160 0.84 DRD2 (0.75) DRD2DRD3HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
WO-2014079504-A1 POLYCYCLIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF BIOFORDRUG S.R.L. (IT) 2014-05-30 WO disclosed
US-8389555-B2 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2013-03-05 US disclosed
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed
EP-2220060-A1 MEDICAMENTS Motac Neuroscience Limited (GB) 2010-08-25 EP disclosed
WO-2009056805-A1 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO disclosed
US-5922874-A Process for preparing N-aryl-N'-alkyl-piperazines BAYER ATKIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
EP-0895993-A1 Process for the preparation of N-aryl-N'aklyl-piperazines BAYER AG (DE) 1999-02-10 EP disclosed
US-5712270-A TREATING PARKINSON*S DISEASE, DOWN*S SYNDROME, AND ALZHEIMER*S DISEASE WITH COGNITION ACTIVATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-27 US disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
EP-0548798-A1 Antiviral agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-06-30 EP disclosed
EP-0094159-B1 DIHYDROPYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-14 EP disclosed
US-4892875-A HYPOTENSIVE, RENAL VASODILATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
US-4873331-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-10-10 US disclosed
US-4868181-A CALCIUM CHANNEL BLOCKERS, ADRENERGIC BLOCKING AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-19 US disclosed
US-4797489-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP. (US) 1989-01-10 US disclosed
EP-0255710-A2 1,4-Dihydropyridine derivatives with calcium agonist and alpha-1-antagonist activity THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-02-10 EP disclosed
EP-0205511-A1 NEW PIPERAZINE DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-12-30 EP disclosed
WO-1986003748-A1 NEW PIPERAZINE DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-07-03 WO disclosed
EP-0094159-A1 Dihydropyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 EP 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 (1 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-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 DRD2 16/4885DRD3 41/4885HTR1A 23/4885

“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.