SCHEMBL3355644

SCHEMBL3355644

CCOC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 10/20 0.51
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 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
SCHEMBL29716454 0.89 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL15549442 0.89 FPR2 (0.53) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL8878617 0.89 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL5674705 0.89 PKM (0.53) KMT2AMEN1PKM
SCHEMBL965515 0.89 LMNA (0.62) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL23986656 0.88 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL22309108 0.87 MEN1 (0.68) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL16112188 0.87 LMNA (0.55) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL2185224 0.86 KDM1A (0.46) KMT2AMEN1
SCHEMBL22793051 0.86 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359642-A Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2024-07-19 CN disclosed
CN-111566104-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2024-05-17 CN disclosed
CN-111592525-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2020-12-08 CN disclosed
CN-111592525-A Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2020-08-28 CN disclosed
CN-111566104-A Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2020-08-21 CN disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-6020347-A 4-substituted-4-piperidine carboxamide derivatives MERCK & CO., INC. (US) 2000-02-01 US disclosed
WO-1999025685-A1 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-05-27 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 (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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 KMT2A 3495/4885MEN1 4595/4885ALDH1A1 903/4885

“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.