SCHEMBL19120293

SCHEMBL19120293

CC(C)c1cn(CC(=O)NC[C@@H](C)c2cn(CCO)nn2)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.42
GPR139 Q6DWJ6 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MAPK14 Q16539 1/20 0.32
GLA P06280 1/20 0.30

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
SCHEMBL19086059 0.80 NTRK1 (0.37) NTRK1MEN1KMT2AMAPK14
SCHEMBL22381401 0.74 ALDH1A1 (0.43) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL2571668 0.74 NTRK1 (0.38) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL23937854 0.72 NTRK1 (0.41) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL26328680 0.71 NTRK1 (0.38) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL20952658 0.70 KIT (0.39) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL16171674 0.70 NTRK1 (0.38) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL12985708 0.70 SMYD3 (0.42) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL20546482 0.68 MAPK1 (0.57) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL20547099 0.68 MEN1 (0.56) NTRK1MEN1TSHRMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 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 (1 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-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 NTRK1 586/4885GPR139 404/4885MEN1 3999/4885

“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.