SCHEMBL22102455

SCHEMBL22102455

CNCCN1CCNC(C(=O)OC)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.48
GRIN3B O60391 4/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2A Q12879 4/20 0.48
GRIN2B Q13224 4/20 0.48
GRIN2C Q14957 4/20 0.48
GRIN3A Q8TCU5 4/20 0.48
THRB P10828 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 1/20 0.39
CARM1 Q86X55 3/20 0.37
PRMT6 Q96LA8 3/20 0.37
PRMT8 Q9NR22 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL25873417 0.81 CCR2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23906808 0.81 CCR2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6497360 0.80 BCHE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20299633 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22111738 0.77 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15148092 0.76 POLB (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15285280 0.76 CCR2 (0.40)
SCHEMBL6141965 0.76 CCR2 (0.40)
SCHEMBL13779919 0.76 CCR2 (0.40)
SCHEMBL28931790 0.75 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 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 (5 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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A GRIN2D 3820/4885GRIN3B 1996/4885GRIN1 2693/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 GRIN2D 4627/4885GRIN3B 3746/4885GRIN1 4164/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 GRIN2D 4627/4885GRIN3B 3746/4885GRIN1 4164/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A GRIN2D 3820/4885GRIN3B 1996/4885GRIN1 2693/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A GRIN2D 3820/4885GRIN3B 1996/4885GRIN1 2693/4885

“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.