SCHEMBL8932250

SCHEMBL8932250

CCCNC(=O)CCC(C)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
CASP2 P42575 1/20 0.42
MCL1 Q07820 1/20 0.42
CNR1 P21554 2/20 0.41

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
SCHEMBL21541330 1.00 ALDH1A1 (0.53) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL12557459 0.85 CASP2 (0.65) CASP2NAAAFAAHNOD1TP53
SCHEMBL22516427 0.84 ALDH1A1 (0.53) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL21935015 0.83 GABRP (0.52) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL1518045 0.83 ALDH1A1 (0.57) ALDH1A1CASP2MCL1CNR1NAAA
SCHEMBL16181357 0.82 ALDH1A1 (0.80) ALDH1A1CASP2MCL1CNR1NAAA
SCHEMBL13785511 0.81 NOD1 (0.52) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL14519216 0.81 NOD1 (0.52) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL23429685 0.80 ALDH1A1 (0.53) ALDH1A1CASP2MCL1CNR1CTSD
SCHEMBL12059217 0.80 ALDH1A1 (0.53) ALDH1A1CASP2MCL1CNR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188247-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2012-05-29 US disclosed
US-7964578-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2011-06-21 US disclosed
US-20100331535-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY MATULIC-ADAMIC JASENKA 2010-12-30 US disclosed
US-7858625-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2010-12-28 US disclosed
US-7833992-B2 biological conjugates used for drug delivery; side effect reduction MERCK SHARPE & DOHME (US) 2010-11-16 US disclosed
US-20090264636-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY SIRNA THERAPEUTICS, INC. (US) 2009-10-22 US disclosed
US-7491805-B2 Biological conjugates used for drug delivery; side effect reduction SIRNA THERAPEUTICS, INC. (US) 2009-02-17 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-20090264636-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY ALB, PHAX, HEXA ALDH1A1 2356/4885GABRP 3891/4885GABRD 4531/4885
US-20100331535-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY MTHFD1, FOLR1, FOLR2 ALDH1A1 1596/4885GABRP 4464/4885GABRD 4372/4885

“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.