SCHEMBL23906808

SCHEMBL23906808

CCN1CCNC(C(=O)OC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAPT P10636 1/20 0.43
GRIN2D O15399 5/20 0.39
GRIN3B O60391 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2A Q12879 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN3A Q8TCU5 5/20 0.39
THRB P10828 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
BIRC2 Q13490 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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 1.00 CCR2 (0.44) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL23906807 0.83 CCR2 (0.40) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL12337452 0.83 CCR2 (0.41) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL6497360 0.82 BCHE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22102455 0.81 GRIN2D (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30831133 0.81 MAPT (0.46) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL6577891 0.81 MAPT (0.63) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL23906809 0.80 CHRM2 (0.42) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL12337422 0.80 CCR2 (0.44) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL20299633 0.80 GRIN2D (0.44) CCR2KCNH2MAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182322-B1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-04-24 EP claimed
EP-4182322-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP claimed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 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 (2 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CCR2 1841/4885KCNH2 4092/4885MAPT 4712/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CCR2 1841/4885KCNH2 4092/4885MAPT 4712/4885

“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.