SCHEMBL944256

SCHEMBL944256

C[C@@H](c1ccccc1)N1CC[C@@H](CN(C)C)[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
OPRK1 P41145 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRL1 P41146 1/20 0.39
CCR5 P51681 3/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
TPSAB1 Q15661 1/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL1064996 0.90 AGTR2 (0.39) KMT2AOPRK1OPRM1OPRD1OPRL1
SCHEMBL1055995 0.86 KMT2A (0.43) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL1030140 0.83 KMT2A (0.40) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL1030142 0.83 KMT2A (0.40) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL943362 0.81 KMT2A (0.39) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL1081090 0.81 KMT2A (0.39) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL2703180 0.79 OPRK1 (0.43) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL1075333 0.79 OPRK1 (0.43) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL943677 0.79 OPRK1 (0.43) TDP1KMT2AOPRK1OPRM1OPRD1
SCHEMBL13472056 0.79 XIAP (0.40) TDP1KMT2AOPRK1OPRM1OPRD1

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-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
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-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-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-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

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 TDP1 2390/4885KMT2A 2205/4885OPRK1 2930/4885
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas UCK2, ULK3, ULK2 TDP1 2538/4885KMT2A 1889/4885OPRK1 948/4885

“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.