SCHEMBL14010448

SCHEMBL14010448

CC(NC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.42
SLC6A2 P23975 5/20 0.39
CHRNA1 P02708 4/20 0.39
CHRNG P07510 4/20 0.39
CHRNB1 P11230 4/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRND Q07001 4/20 0.39
SLC6A4 P31645 3/20 0.38
ITGA5 P08648 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH1 P35367 1/20 0.38
CHRNA7 P36544 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14601332 1.00 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL18653492 1.00 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL21309260 0.91 SLC6A3 (0.38) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL13575192 0.84 SLC6A3 (0.39) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL27103249 0.84 SLC6A3 (0.39) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL14296180 0.83 SLC6A3 (0.38) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL25874319 0.80 SLC6A3 (0.40) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL22349635 0.80
SCHEMBL18541495 0.80
SCHEMBL19524701 0.77 EPHX1 (0.32)

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306572-A1 POLYMER HAVING HALOGEN-CONTAINING SEGMENT AND PHARMACEUTICAL COMPOSITION USING SAME AGC INC. (JP) 2024-01-17 EP disclosed
US-11793893-B2 Compounds comprising conductive oligomers, materials formed therefrom, and methods of making and using same THE PENN STATE RESEARCH FOUNDATION (PA) 2023-10-24 US disclosed
US-20230279053-A1 GLP-1 RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-09-07 US disclosed
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 Universite De Paris (FR) 2022-08-09 US disclosed
US-20210316004-A1 ANTIBODY MOLECULE-DRUG CONJUGATES AND USES THEREOF Visterra, Inc. 2021-10-14 US disclosed
US-10919938-B2 Modified cyclopentapeptides and uses thereof Technische Universität München (DE) 2021-02-16 US disclosed
US-10744180-B2 Therapy and kit for the prevention and treatment of cystic fibrosis TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-08-18 US disclosed
US-10626144-B2 Peptide derivatives and uses thereof NOSOPHARM (FR) 2020-04-21 US disclosed
WO-2019163942-A1 POLYMER, METHOD FOR PRODUCING POLYMER, DRUG COMPLEX, AND MICELLE 公益財団法人川崎市産業振興財団 2019-08-29 WO disclosed
WO-2019163958-A1 DRUG COMPOSITE, MICELLE, AND PHARMACEUTICAL COMPOSITION 公益財団法人川崎市産業振興財団 2019-08-29 WO disclosed
EP-2393819-B1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-01-25 EP disclosed
US-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2016-09-08 US disclosed
US-9266924-B2 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2016-02-23 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070244055-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-10-18 US disclosed
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-06-07 US disclosed
US-20070021350-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-01-25 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 (13 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-20230279053-A1 GLP-1 RECEPTOR ANTAGONISTS GLP1R, GIPR, GCGR SLC6A3 2927/4885SLC6A2 2802/4885CHRNA1 669/4885
US-10626144-B2 Peptide derivatives and uses thereof VIP, IAPP, NGLY1 SLC6A3 3598/4885SLC6A2 3729/4885CHRNA1 4785/4885
US-20210316004-A1 ANTIBODY MOLECULE-DRUG CONJUGATES AND USES THEREOF CD14, EPCAM, CD44 SLC6A3 1908/4885SLC6A2 2618/4885CHRNA1 2819/4885
US-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG SLC6A3 3387/4885SLC6A2 2496/4885CHRNA1 2933/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP SLC6A3 4826/4885SLC6A2 4850/4885CHRNA1 4877/4885
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 SLC6A3 1254/4885SLC6A2 1576/4885CHRNA1 1673/4885
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP SLC6A3 2244/4885SLC6A2 2014/4885CHRNA1 3505/4885
US-10744180-B2 Therapy and kit for the prevention and treatment of cystic fibrosis CFTR, CLCN2, PROKR1 SLC6A3 4299/4885SLC6A2 4718/4885CHRNA1 1305/4885
US-11793893-B2 Compounds comprising conductive oligomers, materials formed therefrom, and methods of making and using same PICALM, ILK, GJB2 SLC6A3 2403/4885SLC6A2 1993/4885CHRNA1 3094/4885
US-20070244055-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP SLC6A3 1810/4885SLC6A2 1714/4885CHRNA1 3551/4885
US-10919938-B2 Modified cyclopentapeptides and uses thereof ANXA4, CPA4, PTMS SLC6A3 382/4885SLC6A2 446/4885CHRNA1 1658/4885
US-20070021350-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP SLC6A3 1810/4885SLC6A2 1714/4885CHRNA1 3551/4885
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 SLC6A3 4691/4885SLC6A2 4524/4885CHRNA1 4885/4885

“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.