SCHEMBL606330

SCHEMBL606330

CC(=O)N1CCC(C(=NO)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 2/20 0.44
HRH4 Q9H3N8 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX7 Q99572 2/20 0.41
DPP4 P27487 1/20 0.41
EPHX2 P34913 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL606329 1.00 MEN1 (0.47) MEN1KMT2ANOTUMHRH4HTT
SCHEMBL224986 0.84 HSD11B1 (0.48) MEN1KMT2ANOTUMHTTNPSR1
SCHEMBL10395789 0.82 MAPK8 (0.42) MEN1KMT2AHTTNPSR1EPHX2
SCHEMBL10634934 0.81 NOTUM (0.42) MEN1KMT2ANOTUMHRH4P2RX7
Formic Acid SCHEMBL10640837 0.79 NOTUM (0.40) MEN1KMT2ANOTUMHRH4P2RX7
SCHEMBL3247658 0.78 SLC6A12 (0.41) MEN1KMT2ANOTUMHRH4ALDH1A1
SCHEMBL7931883 0.77 MEN1 (0.46) MEN1KMT2ADPP4SMN1; SMN2
SCHEMBL7931887 0.77 MEN1 (0.46) MEN1KMT2ADPP4SMN1; SMN2
SCHEMBL10634910 0.76 KMT2A (0.47) MEN1KMT2ANOTUMHRH4ALDH1A1
SCHEMBL230073 0.76 MGLL (0.53) KMT2AHTTNPSR1CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4408054-A ANALGESTICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US claimed
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
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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 MEN1 3327/4885KMT2A 1012/4885NOTUM 4866/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A MEN1 3327/4885KMT2A 1012/4885NOTUM 4866/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A MEN1 3327/4885KMT2A 1012/4885NOTUM 4866/4885
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A MEN1 3327/4885KMT2A 1012/4885NOTUM 4866/4885

“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.