SCHEMBL491684

SCHEMBL491684

[c]1csc(C2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
CCR3 P51677 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD2 P14416 7/20 0.46
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
SIGMAR1 Q99720 1/20 0.46
BCHE P06276 2/20 0.44
BACE1 P56817 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CXCR4 P61073 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL415277 0.74 KMT2A (0.53) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL19434386 0.72 AKT1 (0.55) ACHECCR3MEN1KMT2ADRD2
SCHEMBL1002852 0.72 MEN1 (0.81) ACHECCR3MEN1KMT2ADRD2
SCHEMBL5762578 0.71 ACHE (0.48) ACHECCR3MEN1KMT2ADRD2
SCHEMBL10391262 0.71 ACHE (0.48) ACHECCR3MEN1KMT2ADRD2
SCHEMBL2710149 0.70 ACHE (0.57) ACHECCR3MEN1KMT2ADRD2
SCHEMBL8315434 0.69 ACHE (0.71) ACHECCR3DRD2DRD4DRD3
SCHEMBL29597859 0.69 SIGMAR1 (0.46) ACHEMEN1KMT2ADRD2SIGMAR1
SCHEMBL7363662 0.68 ACHE (0.69) ACHECCR3DRD2DRD4DRD3
SCHEMBL4257757 0.68 ACHE (0.69) ACHECCR3MEN1KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 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 (7 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ACHE 3724/4885CCR3 156/4885MEN1 4332/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 ACHE 4849/4885CCR3 2387/4885MEN1 2939/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 ACHE 4153/4885CCR3 130/4885MEN1 4411/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB ACHE 4561/4885CCR3 202/4885MEN1 4684/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB ACHE 4612/4885CCR3 202/4885MEN1 4670/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 ACHE 4842/4885CCR3 1329/4885MEN1 2958/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB ACHE 4543/4885CCR3 176/4885MEN1 4634/4885

“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.