SCHEMBL10164221

SCHEMBL10164221

c1ccc(CN2CCC(c3noc4ccccc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.62
HTR1A P08908 5/20 0.53
DRD2 P14416 5/20 0.53
HTR2A P28223 5/20 0.53
BCHE P06276 1/20 0.52

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
SCHEMBL10638075 0.87 DRD2 (0.56) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL10634852 0.86 DRD2 (0.55) HTR1ADRD2HTR2A
SCHEMBL21678218 0.84 DRD2 (0.58) HTR1ADRD2HTR2A
SCHEMBL21633555 0.83 DRD2 (0.54) HTR1ADRD2HTR2A
SCHEMBL13201169 0.82 CTSS (0.54) ACHEHTR1ADRD2HTR2A
SCHEMBL25345725 0.82 DRD2 (0.57) HTR1ADRD2HTR2A
SCHEMBL30485109 0.82 DRD2 (0.57) HTR1ADRD2HTR2A
SCHEMBL22048329 0.81 DRD2 (0.57) HTR1ADRD2HTR2A
SCHEMBL84566 0.81 DRD2 (0.70) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL10995755 0.81 DRD2 (0.53) HTR1ADRD2HTR2A

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 12 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
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
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
EP-0080104-B1 3-(4-PIPERIDYL)-1,2-BENZISOXAZOLES, PROCESS FOR THE PREPARATION THEREOF, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-12-14 EP disclosed
US-4528376-A 3-(4-Piperidyl)-1,2-benzisoxazoles HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-09 US disclosed
US-4469869-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-09-04 US disclosed
US-4408054-A ANALGESTICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
US-4408053-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
EP-0080104-A2 3-(4-Piperidyl)-1,2-benzisoxazoles, process for the preparation thereof, and a pharmaceutical composition comprising the same HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-01 EP disclosed
US-4355037-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1982-10-19 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 (4 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 ACHE 682/4885HTR1A 3/4885DRD2 6/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A ACHE 682/4885HTR1A 3/4885DRD2 6/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A ACHE 682/4885HTR1A 3/4885DRD2 6/4885
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A ACHE 682/4885HTR1A 3/4885DRD2 6/4885

“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.