SCHEMBL47686

SCHEMBL47686

CCCNC(=O)CN1CCN(CCN)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
GNAI3 P08754 2/20 0.46
GNAO1 P09471 2/20 0.46
GNAI1 P63096 2/20 0.46
ALOX15 P16050 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL8396113 0.84 SIGMAR1 (0.55) ALDH1A1SMN1; SMN2ALOX15SIGMAR1TDP1
SCHEMBL15834506 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1KDM4E
SCHEMBL18118428 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1KDM4E
SCHEMBL10223654 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2SIGMAR1TDP1KDM4E
SCHEMBL11952855 0.79 SIGMAR1 (0.54) ALDH1A1SMN1; SMN2ALOX15SIGMAR1TDP1
SCHEMBL20668639 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2SIGMAR1TDP1TP53
SCHEMBL6897984 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2SIGMAR1TDP1TP53
SCHEMBL18997671 0.77 SIGMAR1 (0.50) ALDH1A1SMN1; SMN2SIGMAR1TDP1KDM4E
SCHEMBL8616990 0.76 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2ALOX15KDM4EPOLB
SCHEMBL1905216 0.76 SIGMAR1 (0.71) ALDH1A1SMN1; SMN2GNAI3GNAO1GNAI1

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-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate ASCENDIS PHARMA A/S (DK) 2017-04-13 US disclosed
US-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2015-02-26 US disclosed
US-8906847-B2 Prodrug comprising a drug linker conjugate ASCENDIS PHARMA A/S (DK) 2014-12-09 US disclosed
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2011-03-03 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 (3 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-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 ALDH1A1 140/4885SMN1; SMN2 3213/4885GNAI3 3669/4885
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate H1-0, H1-3, H1-2 ALDH1A1 140/4885SMN1; SMN2 3213/4885GNAI3 3669/4885
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 ALDH1A1 141/4885SMN1; SMN2 3189/4885GNAI3 3684/4885

“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.