SCHEMBL22277155

SCHEMBL22277155

CC(C)CCCCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
NPY4R P50391 4/20 0.34
NPY1R P25929 3/20 0.34
NPY2R P49146 3/20 0.34
NPY5R Q15761 3/20 0.34
SPHK1 Q9NYA1 3/20 0.33
ALB P02768 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL18601807 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5089242 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL6241672 0.98 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL19145361 0.98 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7935092 0.91 MEN1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL434308 0.86 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Trifluoroacetic Acid SCHEMBL7439215 0.85 NPY4R (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL433663 0.84 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL17525175 0.83 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL11418945 0.83 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 MEN1 741/4885CYP1A2 3871/4885KMT2A 2112/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 MEN1 741/4885CYP1A2 3871/4885KMT2A 2112/4885

“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.