SCHEMBL16971084

SCHEMBL16971084

NCC(CC(=O)O)c1cccc(N(CCCl)CCCl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 5/20 0.55
▸ GABBR1 Q9UBS5 5/20 0.55
▸ LMNA P02545 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ DRD3 P35462 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ IDO1 P14902 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL16971233 0.77 IDO1 (0.44) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL30947798 0.76 GABBR2 (0.67) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL21609296 0.76 GABBR2 (0.67) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL21610492 0.76 GABBR2 (0.67) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL29980876 0.76 GABBR2 (0.67) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL21609308 0.76 GABBR2 (0.67) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL5286538 0.75 LMNA (0.47) LMNACYP3A4NFKB1DRD3CYP1A2
SCHEMBL16971103 0.74 GAA (0.46) GABBR2GABBR1LMNACYP3A4CYP2C9
SCHEMBL18427979 0.74 IDO1 (0.57) LMNACYP3A4NFKB1DRD3CYP1A2
SCHEMBL18427948 0.74 IDO1 (0.57) LMNACYP3A4NFKB1DRD3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132406-B β -substituted gamma-amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2020-03-27 — — CN claimed
US-9682921-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2017-06-20 — — US claimed
EP-3102194-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS Quadriga Biosciences, Inc. (US) 2016-12-14 — — EP claimed
US-20160289168-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-06 — — US claimed
US-9394236-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 — — US claimed
WO-2015117146-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO claimed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US claimed
CN-106132406-B β -substituted gamma-amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2020-03-27 — — CN disclosed
US-9937139-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-9937139-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-9937139-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2017-08-31 — — US disclosed
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2017-08-31 — — US disclosed
US-9394236-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 — — US disclosed
US-9394236-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 — — US disclosed
WO-2015117146-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US disclosed
WO-2015117146-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — 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-20160289168-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 GABBR2 285/4885GABBR1 286/4885LMNA 3690/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 GABBR2 285/4885GABBR1 286/4885LMNA 3690/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 GABBR2 285/4885GABBR1 286/4885LMNA 3690/4885

“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.

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