SCHEMBL1490892

SCHEMBL1490892

CCCNC(=O)OB(OC(=O)NCCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NAAA Q02083 1/20 0.38
BCHE P06276 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL3871760 0.79 KMT2A (0.47) POLBCYP2D6NPC1GAARAB9A
SCHEMBL1895641 0.74 TAAR1 (0.58) NPC1GAARAB9ATAAR1
SCHEMBL20503342 0.72 GAA (0.42) POLBGAAKMT2ACA12CA9
SCHEMBL4768280 0.72 SMN1; SMN2 (0.50) NPC1GAARAB9AKMT2ABCHE
SCHEMBL28165221 0.71 KMT2A (0.49) POLBGAAKMT2AEPHX1HTT
SCHEMBL733157 0.71 LMNA (0.71) POLBNPC1RAB9AKMT2ACA12
SCHEMBL6693558 0.71 MAPT (0.44) TSHR
SCHEMBL5778129 0.71 KMT2A (0.44) NPC1GAARAB9AKMT2ATSHR
SCHEMBL6829989 0.70 TSHR (0.46) POLBNPC1GAAKMT2ATSHR
SCHEMBL9621660 0.70 ALDH1A1 (0.44) TDP1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 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 (2 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-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 POLB 3024/4885HTR1A 4469/4885CYP2D6 726/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 POLB 2384/4885HTR1A 1498/4885CYP2D6 37/4885

“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.