SCHEMBL4531400

SCHEMBL4531400

COc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
MAP4K4 O95819 1/20 0.56
CKS1B P61024 2/20 0.55
SKP1 P63208 2/20 0.55
SKP2 Q13309 2/20 0.55
GPR119 Q8TDV5 5/20 0.51
PHGDH O43175 1/20 0.50
SUV39H2 Q9H5I1 2/20 0.48
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KIF18A Q8NI77 1/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 1/20 0.44
KIT P10721 1/20 0.44

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
SCHEMBL461584 0.89 CKS1B (0.62) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL23839560 0.89 MAP4K4 (0.55) HRH3MAP4K4CKS1BSKP1SKP2
SCHEMBL31651832 0.86 MAP4K4 (0.53) HRH3MAP4K4CKS1BSKP1SKP2
SCHEMBL3108968 0.86 MAP4K4 (0.53) HRH3MAP4K4CKS1BSKP1SKP2
SCHEMBL441495 0.86 CKS1B (0.56) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL29574323 0.86 CKS1B (0.56) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL391351 0.85 HRH3 (0.54) HRH3MAP4K4CKS1BSKP1SKP2
SCHEMBL4949224 0.84 CKS1B (0.57) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL29664252 0.84 CKS1B (0.57) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL461585 0.84 CKS1B (0.60) MAP4K4CKS1BSKP1SKP2GPR119

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
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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 (3 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 HRH3 4494/4885MAP4K4 1635/4885CKS1B 541/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A HRH3 202/4885MAP4K4 515/4885CKS1B 1157/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 HRH3 331/4885MAP4K4 2143/4885CKS1B 3948/4885

“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.