SCHEMBL1056362

SCHEMBL1056362

COC(=O)[C@@H]1CCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.60
FKBP1A P62942 2/20 0.58
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KLK7 P49862 1/20 0.53
KLK5 Q9Y337 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL2769697 1.00 PREP (0.60) PREPFKBP1ANPSR1NPC1RAB9A
SCHEMBL5525089 0.92 PREP (0.67) PREPFKBP1ANPSR1ALDH1A1TSHR
SCHEMBL4724457 0.92 PREP (0.67) PREPFKBP1ANPSR1ALDH1A1TSHR
SCHEMBL630112 0.92 PREP (0.67) PREPFKBP1ANPSR1ALDH1A1TSHR
SCHEMBL3578099 0.91 FKBP1A (0.71) PREPFKBP1ANPSR1ALDH1A1TSHR
SCHEMBL630096 0.91 FKBP1A (0.71) PREPFKBP1ANPSR1ALDH1A1TSHR
SCHEMBL631581 0.90 FKBP1A (0.58) PREPFKBP1ANPC1RAB9ASMN1; SMN2
SCHEMBL15215546 0.89 PREP (0.52) PREPFKBP1ANPSR1NPC1RAB9A
SCHEMBL2760307 0.89 PREP (0.52) PREPFKBP1ANPSR1NPC1RAB9A
SCHEMBL1694135 0.89 PREP (0.52) PREPFKBP1ANPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631560-B Azetidine benzodiazepine dimers and conjugates comprising the same for the treatment of cancer 麦迪穆有限责任公司 2025-02-18 CN disclosed
US-12209099-B2 Azetidobenzodiazepine dimers and conjugates comprising them for use in the treatment of cancer MEDIMMUNE LIMITED (GB) 2025-01-28 US disclosed
EP-3938372-B1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LTD (GB) 2023-10-25 EP disclosed
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LIMITED (GB) 2022-05-26 US disclosed
CN-113631560-A Azetidino-benzodiazepine dimers and conjugates comprising same for the treatment of cancer 麦迪穆有限责任公司 2021-11-09 CN disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
EP-2448946-B1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS NOVARTIS AG (CH) 2013-07-24 EP disclosed
US-8357707-B2 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2013-01-22 US disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
US-6544976-B1 Treating disorders characterized by neuronal damage caused by disease or trauma, such as Parkinson's disease, Alzheimer's disease, stroke, multiple sclerosis, amyotrophic lateral sclerosis, diabetic neuropathy and Bell's palsy. ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-08 US disclosed
WO-2001004091-A1 NEUROTROPHIC 2-AZETIDINECARBOXYLIC ACID DERIVATIVES, AND RELATED COMPOSITIONS AND METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-18 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 (5 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PREP 1829/4885FKBP1A 543/4885NPSR1 718/4885
US-20110003786-A1 2-Carboxamide Cycloamino Ureas PIK3C3, PRKACA, UACA PREP 1576/4885FKBP1A 1738/4885NPSR1 4660/4885
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER BCR, UGT2B17, BCL6B PREP 2494/4885FKBP1A 1839/4885NPSR1 572/4885
US-12209099-B2 Azetidobenzodiazepine dimers and conjugates comprising them for use in the treatment of cancer BCR, UGT2B17, BCL6B PREP 2494/4885FKBP1A 1839/4885NPSR1 572/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PREP 4306/4885FKBP1A 1575/4885NPSR1 4867/4885

“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.