SCHEMBL943677

SCHEMBL943677

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRL1 P41146 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCR5 P51681 1/20 0.41
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 3/20 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
SCHEMBL1075333 1.00 OPRK1 (0.43) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL2703180 1.00 OPRK1 (0.43) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL27156366 0.88 KMT2A (0.43) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL943708 0.88 KMT2A (0.43) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL6079535 0.88 KMT2A (0.43) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL1022236 0.83 CYP2D6 (0.42) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL1022238 0.83 CYP2D6 (0.42) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL1055995 0.82 KMT2A (0.43) OPRK1OPRM1OPRD1OPRL1KMT2A
SCHEMBL29819789 0.80 ALDH1A1 (0.50) KMT2AKDM4ECHRM2CHRM1ALDH1A1
SCHEMBL29820127 0.80 ALDH1A1 (0.50) KMT2AKDM4ECHRM2CHRM1ALDH1A1

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 19 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-2448946-A1 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS Novartis AG (CH) 2012-05-09 EP disclosed
EP-2448935-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS 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-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-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 OPRK1 2930/4885OPRM1 3329/4885OPRD1 3830/4885
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas UCK2, ULK3, ULK2 OPRK1 948/4885OPRM1 2336/4885OPRD1 2657/4885

“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.