SCHEMBL1025910

SCHEMBL1025910

CCCCOC(=O)[C@]1(C)CCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.38
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
NAAA Q02083 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32

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
SCHEMBL1025912 1.00 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6209749 0.88 ALDH1A1 (0.36) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28426667 0.83 OPRM1 (0.40) ALDH1A1ATMLMNASMN1; SMN2MEN1
SCHEMBL10957286 0.83 OPRM1 (0.40) ALDH1A1ATMLMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17393362 0.81 OPRM1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL17393359 0.81 OPRM1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL17476070 0.78 OPRM1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9274983 0.76 NAAA (0.40) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL2972762 0.75 NPSR1 (0.41) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL10039814 0.75 NPSR1 (0.41) ALDH1A1LMNAMEN1KMT2APOLB

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
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-8357707-B2 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2013-01-22 US disclosed
US-8357707-B2 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2013-01-22 US disclosed
EP-2448946-A1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS Novartis AG (CH) 2012-05-09 EP disclosed
WO-2011000855-A1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS NOVARTIS AG (CH) 2011-01-06 WO disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
US-20100298286-A1 Organic Compounds NOVARTIS AG 2010-11-25 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
EP-2238134-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2010-10-13 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
WO-2009080705-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US 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-20100298286-A1 Organic Compounds PIK3CA, PI4KB, PIK3CB ALDH1A1 1030/4885ATM 377/4885TSHR 4000/4885
US-20110003786-A1 2-Carboxamide Cycloamino Ureas PIK3C3, PRKACA, UACA ALDH1A1 3152/4885ATM 1783/4885TSHR 3213/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD ALDH1A1 1680/4885ATM 467/4885TSHR 4209/4885

“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.