SCHEMBL606642

SCHEMBL606642

CC(C)(C)OC(=O)NC1CCC(CCN2CCC(c3noc4cc(Cl)ccc34)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.80
DRD3 P35462 20/20 0.80

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
SCHEMBL4208408 1.00 HTR2A (0.80) HTR2ADRD3
SCHEMBL605287 0.93 HTR2A (0.72) HTR2ADRD3
SCHEMBL4198893 0.93 HTR2A (0.72) HTR2ADRD3
SCHEMBL607399 0.90 HTR2A (0.80) HTR2ADRD3
SCHEMBL30855321 0.90 HTR2A (0.80) HTR2ADRD3
SCHEMBL15859550 0.89 HTR2A (1.00) HTR2ADRD3
SCHEMBL4202827 0.89 HTR2A (1.00) HTR2ADRD3
SCHEMBL10164205 0.88 HTR2A (0.62) HTR2ADRD3
SCHEMBL604687 0.86 HTR2A (1.00) HTR2ADRD3
SCHEMBL15866499 0.86 HTR2A (1.00) HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HOFFMAN-LA ROCHE INC. 2014-11-27 US disclosed
US-8829029-B2 Dual modulators of 5HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP disclosed
US-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US disclosed
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-02-16 US disclosed
EP-2183245-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A HTR2A 1/4885DRD3 10/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A HTR2A 1/4885DRD3 10/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A HTR2A 1/4885DRD3 10/4885

“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.