SCHEMBL4816304

SCHEMBL4816304

CC(C(N)=O)C1CCOc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.45
MCHR1 Q99705 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5501096 0.79 BDKRB1 (0.45) BDKRB1MCHR1KMT2AMEN1SMN1; SMN2
SCHEMBL4816308 0.78 BDKRB1 (0.45) BDKRB1MCHR1KMT2AMEN1SMN1; SMN2
SCHEMBL5950942 0.78 SMN1; SMN2 (0.47) BDKRB1SMN1; SMN2ALDH1A1HTTTDP1
SCHEMBL5950940 0.78 SMN1; SMN2 (0.47) BDKRB1SMN1; SMN2ALDH1A1HTTTDP1
SCHEMBL3593320 0.75 BDKRB1 (0.49) BDKRB1SMN1; SMN2ALDH1A1TDP1
SCHEMBL3593313 0.75 BDKRB1 (0.49) BDKRB1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4150192 0.72 BDKRB1 (0.40) BDKRB1MCHR1KMT2AMEN1SMN1; SMN2
SCHEMBL4147058 0.69 KMT2A (0.53) KMT2AKDM4EALDH1A1
SCHEMBL4133986 0.69 LTA4H (0.44) MCHR1KMT2AMEN1PRMT5WDR77
SCHEMBL13574529 0.68 CYP2D6 (0.71) KMT2ASMN1; SMN2KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 BDKRB1 51/4885MCHR1 3006/4885KMT2A 4129/4885

“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.