SCHEMBL947664

SCHEMBL947664

COC[C@@H]1CCN([C@@H](C)c2ccccc2)[C@@H]1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL1030140 0.88 KMT2A (0.40) KDM4EHTR1AALDH1A1LMNAKMT2A
SCHEMBL980703 0.88 HTR1A (0.40) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL1030142 0.88 KMT2A (0.40) KDM4EHTR1AALDH1A1LMNAKMT2A
SCHEMBL980704 0.88 HTR1A (0.40) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL13624814 0.84 RAB9A (0.36) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL10126869 0.84 RAB9A (0.36) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL12018913 0.84 RAB9A (0.36) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL12018912 0.83 OPRD1 (0.37) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL10126868 0.83 OPRD1 (0.37) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL1022236 0.82 CYP2D6 (0.42) KDM4ETSHRCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448935-B1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2015-06-24 EP disclosed
EP-2448935-B1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2015-06-24 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
US-8293753-B2 Substituted 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293753-B2 Substituted 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293753-B2 Substituted 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2012-10-23 US disclosed
EP-2448935-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS Novartis AG (CH) 2012-05-09 EP disclosed
US-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 US disclosed
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas NOVARTIS AG (CH) 2011-01-06 US disclosed
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas NOVARTIS AG (CH) 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-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas NOVARTIS AG (CH) 2011-01-06 US disclosed
WO-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 WO disclosed
WO-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 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 (2 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-20110003786-A1 2-Carboxamide Cycloamino Ureas PIK3C3, PRKACA, UACA KDM4E 1283/4885TSHR 3213/4885CYP3A4 2936/4885
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas UCK2, ULK3, ULK2 KDM4E 1270/4885TSHR 2608/4885CYP3A4 2315/4885

“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.