SCHEMBL943362

SCHEMBL943362

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
XIAP P98170 2/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 1/20 0.37
CYP2D6 P10635 1/20 0.36
TACR1 P25103 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1081090 1.00 KMT2A (0.39) KMT2AXIAPCHRM2CHRM4CHRM5
SCHEMBL1055995 0.84 KMT2A (0.43) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL944256 0.81 TDP1 (0.41) KMT2ATDP1OPRM1OPRD1OPRK1
SCHEMBL1030142 0.81 KMT2A (0.40) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL1030140 0.81 KMT2A (0.40) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL943677 0.77 OPRK1 (0.43) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2703180 0.77 OPRK1 (0.43) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL1075333 0.77 OPRK1 (0.43) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL13472056 0.77 XIAP (0.40) KMT2AXIAPCHRM2CHRM4CHRM5
SCHEMBL943238 0.77 ALDH1A1 (0.44) KMT2AMEN1

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 12 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-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-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
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 KMT2A 2205/4885XIAP 2240/4885CHRM2 4181/4885
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas UCK2, ULK3, ULK2 KMT2A 1889/4885XIAP 1734/4885CHRM2 2826/4885

“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.