SCHEMBL418629

SCHEMBL418629

c1cnc(N2CCC(c3nccs3)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
GPR119 Q8TDV5 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CHRM4 P08173 2/20 0.41
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SORD Q00796 1/20 0.39

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
SCHEMBL1938549 0.75 CYP3A4 (0.47)
SCHEMBL498175 0.73
SCHEMBL15859864 0.73 KDM4E (0.55) KDM4EGPR119RXFP1TP53L3MBTL1
SCHEMBL13035731 0.73 KDM4E (0.59) KDM4EGPR119RXFP1TP53L3MBTL1
SCHEMBL1346067 0.73 KDM4E (0.55) KDM4EGPR119RXFP1TP53L3MBTL1
SCHEMBL15025455 0.73 DRD4 (0.41) ALDH1A1L3MBTL1
SCHEMBL26863233 0.73 KDM4E (0.59) KDM4EGPR119RXFP1TP53L3MBTL1
SCHEMBL12539252 0.73 DRD4 (0.43) GAASMN1; SMN2
Hydrochloric Acid SCHEMBL20141683 0.71 KDM4E (0.54) KDM4EGPR119RXFP1TP53L3MBTL1
Ammonia Solution, Strong SCHEMBL8131031 0.71 KDM4E (0.57) KDM4EGPR119RXFP1ALDH1A1GAA

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 KDM4E 1244/4885GPR119 1575/4885RXFP1 963/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 KDM4E 1503/4885GPR119 2761/4885RXFP1 3895/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 KDM4E 2069/4885GPR119 1941/4885RXFP1 1808/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB KDM4E 3102/4885GPR119 2219/4885RXFP1 2165/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB KDM4E 1244/4885GPR119 1575/4885RXFP1 963/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB KDM4E 2640/4885GPR119 2046/4885RXFP1 1710/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 KDM4E 1640/4885GPR119 3042/4885RXFP1 3879/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB KDM4E 2863/4885GPR119 2124/4885RXFP1 1866/4885

“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.