SCHEMBL10165864

SCHEMBL10165864

CC(C)C(=O)CCC(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA4 P43681 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
HSD17B10 Q99714 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31

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
SCHEMBL19704988 0.84 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA4ALDH1A1PHF8
SCHEMBL620412 0.81 CA1 (0.36) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL1191256 0.81 ALDH1A1 (0.63) CHRNB2CHRNB4CHRNA4ALDH1A1PHF8
SCHEMBL12888085 0.79 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA4ALDH1A1PHF8
SCHEMBL26700537 0.78 MEN1 (0.35) CHRNB2CHRNB4CHRNA4PHF8KDM2A
SCHEMBL10161025 0.77 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL16816192 0.76 ALDH1A1 (0.52) CHRNB2CHRNB4CHRNA4ALDH1A1PHF8
SCHEMBL28831888 0.73 ALDH1A1 (0.37) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL1517765 0.72 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA4ALDH1A1PHF8
SCHEMBL668762 0.72 UBE2N (0.41) CHRNB2CHRNB4CHRNA4PHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177522-A1 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-06-09 US disclosed
US-9617309-B2 Proline-locked stapled peptides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-11 US disclosed
US-20150239937-A1 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-27 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7887835-B2 for vascular lesion imaging and for diagnosing arteriosclerosis, ischemia with X-ray angiography and positron emission tomography; fluorinated steroid ester, glyceride compounds, phosphatidylcholine, and phosphatidylserine as membrane components of liposome FUJIFILM CORPORATION (JP) 2011-02-15 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20080138285-A1 Compound comprising a fluorine-substituted alkyl group and a liposome contrast medium comprising the compound FUJIFILM CORPORATION (JP) 2008-06-12 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 (5 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-20080138285-A1 Compound comprising a fluorine-substituted alkyl group and a liposome contrast medium comprising the compound PHOSPHO1, SGMS1, SGMS2 CHRNB2 4790/4885CHRNB4 4585/4885CHRNA4 4734/4885
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CHRNB2 3160/4885CHRNB4 3267/4885CHRNA4 3551/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CHRNB2 3160/4885CHRNB4 3267/4885CHRNA4 3551/4885
US-20150239937-A1 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF PRAP1, PRR12, NPPA CHRNB2 4710/4885CHRNB4 4722/4885CHRNA4 4798/4885
US-20220177522-A1 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF PRAP1, PRR12, NPPA CHRNB2 4710/4885CHRNB4 4722/4885CHRNA4 4798/4885

“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.