SCHEMBL13801290

SCHEMBL13801290

O=CN1CCN(c2cc3ccccc3[nH]c2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
KDR P35968 6/20 0.43
CHEK1 O14757 1/20 0.43
CYP2A6 P11509 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HTR3A P46098 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL4543934 0.84 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL9686105 0.84 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL6582983 0.83 BRD4 (0.49) BRD4DAODDOKDRCHEK1
SCHEMBL3459225 0.82 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL31149055 0.82 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL14410195 0.80 BRD4 (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL30041257 0.78 HRH4 (0.63) HRH4HRH3
SCHEMBL13801368 0.74 BRD4 (0.43) BRD4DAODDOKDRCHEK1
Lactic Acid SCHEMBL27341609 0.73 HRH4 (0.44) BRD4DAODDOKDRHRH4
SCHEMBL13801322 0.72 HRH4 (0.72) HRH4HTR3AKDM4EALDH1A1HPGD

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-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

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 BRD4 4776/4885DAO 15/4885DDO 664/4885

“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.