SCHEMBL13801322

SCHEMBL13801322

O=CN1CCN(c2nc3ccccc3[nH]c2=O)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.72
HTR3A P46098 2/20 0.72
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
PLAUR Q03405 1/20 0.46
TP53 P04637 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KHK P50053 1/20 0.43
TRPC3 Q13507 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL3467563 0.84 HRH4 (1.00) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL31749043 0.84 HRH4 (0.74) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL5237102 0.82 HTR3A (0.72) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL31214324 0.81 HRH4 (0.70) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL31214382 0.81 HTR3A (0.70) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL21548076 0.78 HRH4 (0.69) HRH4HTR3AKDM4EALDH1A1KMT2A
Tert-Butyl Formate SCHEMBL27563615 0.76 HRH4 (0.59) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL27563614 0.74 HRH4 (0.62) HRH4HTR3AKDM4EALDH1A1KMT2A
SCHEMBL5237605 0.74 HRH4 (0.62) HRH4HTR3ABCHEACHE
SCHEMBL605362 0.73 HRH4 (0.62) HRH4HTR3AKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HRH4 41/4885HTR3A 220/4885KDM4E 2890/4885

“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.