SCHEMBL7024992

SCHEMBL7024992

CN(Cc1cccc(CCN)c1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
GLS O94925 2/20 0.50
AOC3 Q16853 9/20 0.46
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
RIPK1 Q13546 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL27440203 0.89 GLS (0.49) GLSAOC3HTR2CSLC6A4RIPK1
SCHEMBL2318201 0.86 ACHE (0.41) ACHEGLSHTR2CSLC6A4RIPK1
SCHEMBL1831339 0.85 GLS (0.50) GLSAOC3HTR2CSLC6A4RIPK1
SCHEMBL7021352 0.85 GLS (0.53) GLSAOC3HTR2CSLC6A4RIPK1
SCHEMBL14558956 0.84 GLS (0.51) GLSAOC3HTR2CSLC6A4RIPK1
SCHEMBL2228851 0.83 HSD11B1 (0.51) GLSAOC3HTR2CSLC6A4RIPK1
SCHEMBL14987121 0.82 GLS (0.56) GLSAOC3HTR2CSLC6A4RIPK1
SCHEMBL30264842 0.82 HSP90AA1 (0.49) ACHEGLSAOC3HTR2CSLC6A4
SCHEMBL14426297 0.82 HSP90AA1 (0.49) ACHEGLSAOC3HTR2CSLC6A4
SCHEMBL16942777 0.82 HSD17B2 (0.53) GLSHTR2CSLC6A4RIPK1

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-118561841-A Novel aryl-pyrido-pyrimidin-one derivatives 豪夫迈·罗氏有限公司 2024-08-30 CN disclosed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
CN-116710451-A Novel aryl-pyrido-pyrimidin-one derivatives 豪夫迈·罗氏有限公司 2023-09-05 CN disclosed
WO-2022129260-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-23 WO disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP 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 (1 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-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES QDPR, P2RY1, REN ACHE 2533/4885GLS 645/4885AOC3 1644/4885

“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.