SCHEMBL13404392

SCHEMBL13404392

O=c1[nH]ccnc1NC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SLC6A5 Q9Y345 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
JAK1 P23458 1/20 0.49
CHRM4 P08173 1/20 0.48
FAAH O00519 1/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
OPRL1 P41146 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3138592 0.91 JAK1 (0.56) RAB9ASMN1; SMN2JAK1HTTMAPT
SCHEMBL13404371 0.87 JAK1 (0.50) SMN1; SMN2JAK1HTTMAPTHRH3
SCHEMBL13452931 0.83 MCHR1 (0.55)
SCHEMBL13478982 0.82 NPC1 (0.53) NPC1RAB9ASLC6A5SMN1; SMN2TP53
SCHEMBL13633424 0.81 HTR1A (0.52)
SCHEMBL13404378 0.80 SIGMAR1 (0.49) JAK1HRH3MEN1ALDH1A1KMT2A
SCHEMBL13404508 0.80 NPC1 (0.53) NPC1RAB9ASLC6A5SMN1; SMN2TP53
SCHEMBL13404416 0.79 DNMT3A (0.50) JAK1HRH3
SCHEMBL13404385 0.76 JAK1 (0.41) JAK1
SCHEMBL27256629 0.75 HRH3 (0.56) SMN1; SMN2JAK1HTTHRH3KDM4E

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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 NPC1 1099/4885RAB9A 1747/4885SLC6A5 376/4885

“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.