SCHEMBL1055995

SCHEMBL1055995

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
OPRK1 P41145 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 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
CCR5 P51681 1/20 0.36
PRCP P42785 1/20 0.36
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL1030140 0.86 KMT2A (0.40) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL944256 0.86 TDP1 (0.41) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL1030142 0.86 KMT2A (0.40) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL943362 0.84 KMT2A (0.39) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL1081090 0.84 KMT2A (0.39) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL2703180 0.82 OPRK1 (0.43) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL943677 0.82 OPRK1 (0.43) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL1075333 0.82 OPRK1 (0.43) KMT2ATDP1OPRK1OPRM1OPRD1
SCHEMBL943238 0.82 ALDH1A1 (0.44) KMT2AALDH1A1CCR5
SCHEMBL13472056 0.82 XIAP (0.40) KMT2ATDP1OPRK1OPRM1OPRD1

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 14 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
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

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