SCHEMBL4489461

SCHEMBL4489461

COC1=C[CH]CC=C1N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HRH4 Q9H3N8 4/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL4625323 0.86 DRD2 (0.38) DRD2DRD3HRH4KMT2AMEN1
SCHEMBL1385856 0.77 ADRA2C (0.33) DRD2DRD3HRH4KMT2ADRD4
SCHEMBL2481854 0.71 CHKA (0.37) DRD2HRH4KMT2ADRD4
SCHEMBL8522467 0.69 SIRT6 (0.44) HRH4L3MBTL1
SCHEMBL634177 0.68
SCHEMBL7521434 0.67 QDPR (0.37) DRD2DRD4
SCHEMBL4019693 0.65
SCHEMBL6643285 0.64 KDR (0.35) DRD2DRD4ACHE
SCHEMBL467489 0.64 PIM1 (0.36) L3MBTL1ACHE
SCHEMBL466010 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 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 (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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 DRD2 4593/4885DRD3 4513/4885HRH4 48/4885

“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.