SCHEMBL23071052

SCHEMBL23071052

CC1CC(CO)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL23826475 0.89 HTR2C (0.50) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL25841627 0.85 HTR2C (0.59) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL28411733 0.85 HTR2C (0.59) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL29936064 0.85 HTR2C (0.53) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL29936364 0.85 HTR2C (0.53) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL3240363 0.85 HTR2C (0.53) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL384788 0.85 HTR2C (0.53) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL24179626 0.85 HTR2C (0.53) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL27128101 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26984283 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457296-B Pyrimidine compound and preparation method thereof 武汉人福创新药物研发中心有限公司 2023-11-07 CN disclosed
EP-4029858-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2022-07-20 EP disclosed
US-20220204479-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2022-06-30 US disclosed
WO-2021043260-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR 湖北生物医药产业技术研究院有限公司 2021-03-11 WO disclosed
CN-112457296-A Pyrimidine compound and preparation method thereof 湖北生物医药产业技术研究院有限公司 2021-03-09 CN 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-20220204479-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR TYMP, DPYD, TYMS HTR2C 2530/4885PDK1 1593/4885PDK2 920/4885

“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.