SCHEMBL9998398

SCHEMBL9998398

CCC(=O)C(N)(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.49
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
CYP1A2 P05177 4/20 0.47
CYP2D6 P10635 1/20 0.47
GRIN2D O15399 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
OPRD1 P41143 2/20 0.45
CACNA1F O60840 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP2B6 P20813 1/20 0.45
DRD4 P21917 1/20 0.45
OPRK1 P41145 1/20 0.45
CACNA1D Q01668 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45

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
Water SCHEMBL5173327 0.98 OPRM1 (0.47) OPRM1DRD3DRD2CYP1A2CYP2D6
SCHEMBL2208876 0.81 CYP1A2 (0.54) CYP1A2CYP2D6KMT2AMAPTHIF1A
SCHEMBL28221519 0.80 OPRM1 (0.51) OPRM1DRD3DRD2CYP1A2CYP2D6
SCHEMBL9869880 0.78 CYP1A2 (0.52) CYP1A2CYP2D6KMT2AMAPTHIF1A
SCHEMBL28116513 0.78 CYP1A2 (0.52) CYP1A2CYP2D6KMT2AMAPTHIF1A
SCHEMBL270134 0.78 MAPT (0.57) OPRM1DRD3DRD2CYP1A2GRIN2D
SCHEMBL28691664 0.77 CYP1A2 (0.50) CYP1A2CYP2D6KMT2AMAPTHIF1A
SCHEMBL2576437 0.77 CYP1A2 (0.51) OPRM1DRD3DRD2CYP1A2CYP2D6
SCHEMBL13828216 0.75 OPRM1 (0.55) OPRM1DRD3DRD2CYP1A2GRIN2D
SCHEMBL14938400 0.75 MAPT (0.54) CYP1A2CYP2D6KCNH2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161645-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed
US-20220202777-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2022-06-30 US disclosed
US-10993931-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2021-05-04 US disclosed
US-20190343804-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2019-11-14 US disclosed
US-10172832-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2019-01-08 US disclosed
US-9974772-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2018-05-22 US disclosed
US-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2017-05-04 US disclosed
US-9579307-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2017-02-28 US disclosed
US-20160235711-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-18 US disclosed
US-9351948-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2016-05-31 US disclosed
US-20150148395-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-05-28 US disclosed
US-8993780-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed
EP-2770989-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-09-03 EP disclosed
WO-2013062947-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-02 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 (7 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-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885
US-20190343804-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885
US-10172832-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885
US-10993931-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885
US-20220202777-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885
US-20150148395-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885
US-20160235711-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 OPRM1 45/4885DRD3 1307/4885DRD2 1405/4885

“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.