SCHEMBL3167013

SCHEMBL3167013

O=C(c1ccccc1)c1ccccc1C1CNCCO1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
HTR2A P28223 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL27551469 0.87 DRD2 (0.46) DRD2DRD3HTR2A
SCHEMBL27834241 0.84 DRD2 (0.38) DRD2DRD3
SCHEMBL28605151 0.83 DRD2 (0.43) DRD2DRD3HTR2A
SCHEMBL27845242 0.83 DRD2 (0.43) DRD2DRD3HTR2A
SCHEMBL28966471 0.83 DRD2 (0.44) DRD2DRD3
SCHEMBL27781285 0.83 DRD2 (0.44) DRD2DRD3
SCHEMBL27527543 0.83 DRD2 (0.44) DRD2DRD3
SCHEMBL27585970 0.80
SCHEMBL30892887 0.80 SLC6A2 (0.54) DRD2DRD3
SCHEMBL27660036 0.80 DRD2 (0.42) DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466605-B1 Calcium channel blockers NEUROMED TECH INC (CA) 2010-03-10 EP disclosed
US-7666865-B2 for treating pain; STROKES; ANALGESICS; do not contain substituents that are antioxidants, tropolones or coumarins NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-23 US disclosed
US-20070185105-A1 Calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2007-08-09 US disclosed
EP-1091737-B1 Use of 1-(3,3-diphenylpropionyl)-4-benzhydril piperazine in the treatment of pain NEUROMED TECH INC (CA) 2005-09-14 EP disclosed
EP-1466605-A2 Calcium channel blockers Neuromed Technologies Inc. (CA) 2004-10-13 EP disclosed
US-6294533-B1 COMPOUNDS FOR CARDIOVASCULAR DISORDERS, STROKES AND ANALGESICS NEUORMED TECHNOLOGIES, INC. (CA) 2001-09-25 US disclosed
EP-1091737-A2 CALCIUM CHANNEL BLOCKERS Neuromed Technologies Inc. (CA) 2001-04-18 EP disclosed
WO-2000001375-A2 CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2000-01-13 WO disclosed
US-6011035-A LIBRARIES OF THESE COMPOUNDS CAN ALSO BE USED TO IDENTIFY ANTAGONISTS FOR OTHER TARGETS. COMPOUNDS CONTAINING BENZHYDRIL AND 6-MEMBERED HETEROCYCLIC MOIETIES NEUROMED TECHNOLOGIES INC. (CA) 2000-01-04 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 (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-20070185105-A1 Calcium channel blockers CACNA1S, KCNN4, CACNA1C DRD2 593/4885DRD3 415/4885HTR2A 1588/4885

“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.