SCHEMBL415277

SCHEMBL415277

[c]1csc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
SIGMAR1 Q99720 4/20 0.53
DRD4 P21917 4/20 0.53
ALDH1A1 P00352 2/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
MC4R P32245 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL418589 0.80 MAPT (0.45) KMT2ANPC1RAB9AMEN1SIGMAR1
SCHEMBL2628934 0.75 HRH1 (0.57) KMT2ANPC1RAB9AMEN1SIGMAR1
SCHEMBL491684 0.74 ACHE (0.49) KMT2AMEN1SIGMAR1DRD4ALDH1A1
SCHEMBL576868 0.73 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4MC4RLMNA
SCHEMBL8188324 0.73 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4MC4RLMNA
SCHEMBL2489199 0.73 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4MC4RLMNA
SCHEMBL1415730 0.73 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4MC4RLMNA
SCHEMBL242970 0.73 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4MC4RLMNA
SCHEMBL1041303 0.73 SIGMAR1 (1.00) KMT2ASIGMAR1DRD4MC4RLMNA
SCHEMBL16092966 0.72 LMNA (0.58) KMT2ANPC1RAB9AMEN1SIGMAR1

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 11 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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 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 (8 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 KMT2A 645/4885NPC1 2626/4885RAB9A 3958/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 KMT2A 2229/4885NPC1 1036/4885RAB9A 2004/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 KMT2A 2789/4885NPC1 2164/4885RAB9A 3322/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB KMT2A 3526/4885NPC1 2249/4885RAB9A 3857/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB KMT2A 645/4885NPC1 2626/4885RAB9A 3958/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB KMT2A 3303/4885NPC1 2327/4885RAB9A 3984/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 KMT2A 2705/4885NPC1 1090/4885RAB9A 1824/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB KMT2A 3486/4885NPC1 2022/4885RAB9A 4005/4885

“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.