SCHEMBL8760726

SCHEMBL8760726

c1ccc(COCCNCCOCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
HTR1A P08908 6/20 0.53
ADRA1D P25100 6/20 0.53
ADRA1A P35348 6/20 0.53
ADRA1B P35368 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL7134228 0.98 TSHR (0.58) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL6239315 0.90 TSHR (0.50) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL31474275 0.90 TSHR (0.50) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL3925230 0.90 SMN1; SMN2 (0.52) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL176947 0.90 MEN1 (0.61) TSHRADRA1DADRA1AADRA1BGAA
Hydrochloric Acid SCHEMBL4349320 0.89 HTR1A (0.51) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL5232965 0.88 TSHR (0.52) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL6342799 0.88 TSHR (0.52) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL8160604 0.87 TSHR (0.47) TSHRHTR1AADRA1DADRA1AADRA1B
SCHEMBL2592983 0.87 SMN1; SMN2 (0.49) TSHRHTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US claimed
EP-3102195-B1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES INC (US) 2021-10-06 EP disclosed
CN-108026026-B Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof 夸德里加生物科学公司 2021-02-09 CN disclosed
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-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2019-06-20 US disclosed
CN-106163509-B β -substituted β -amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2019-05-03 CN disclosed
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2019-04-02 US disclosed
US-10245246-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2019-04-02 US disclosed
US-20180297935-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2018-10-18 US disclosed
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-07-31 US disclosed
US-9394237-B2 β-substituted β-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
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-06-30 US disclosed
WO-2015117146-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 WO disclosed
WO-2015117147-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 WO disclosed
US-20150218086-A1 BETA-SUBSTITUTED BETA-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
EP-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO 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 (8 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-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 TSHR 3417/4885HTR1A 3831/4885ADRA1D 412/4885
US-20180297935-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 TSHR 3383/4885HTR1A 3959/4885ADRA1D 461/4885
US-10245246-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 TSHR 3276/4885HTR1A 3872/4885ADRA1D 498/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 TSHR 3050/4885HTR1A 3462/4885ADRA1D 615/4885
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof SLC3A2, SLC7A1, SLC43A1 TSHR 3383/4885HTR1A 3959/4885ADRA1D 461/4885
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 TSHR 3383/4885HTR1A 3959/4885ADRA1D 461/4885
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 TSHR 3417/4885HTR1A 3831/4885ADRA1D 412/4885
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 TSHR 3417/4885HTR1A 3831/4885ADRA1D 412/4885

“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.