SCHEMBL16971236

SCHEMBL16971236

Cc1ccc(N(CCI)CCI)cc1C(CNC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL16971116 0.92 SYK (0.34) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971230 0.91 ALDH1A1 (0.35) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971220 0.90 MAPT (0.34) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16979597 0.86 — —
SCHEMBL16971101 0.85 MAPT (0.32) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971174 0.85 ALDH1A1 (0.34) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971188 0.82 ALDH1A1 (0.35) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971270 0.82 SYK (0.32) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971159 0.82 ALDH1A1 (0.32) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL16971080 0.82 SYK (0.36) MAPTSYKSERPINE1KDM4ERAB9A

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 9 patents. 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 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-9682921-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2017-06-20 — — US disclosed
EP-3102194-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS Quadriga Biosciences, Inc. (US) 2016-12-14 — — EP disclosed
US-20160289168-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-06 — — 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

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 MAPT 718/4885ALDH1A1 632/4885HPGD 3661/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 MAPT 718/4885ALDH1A1 632/4885HPGD 3661/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 MAPT 718/4885ALDH1A1 632/4885HPGD 3661/4885

“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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