SCHEMBL19095331

SCHEMBL19095331

NCC(=O)Nc1ncccn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
HTT P42858 1/20 0.68
GAA P10253 3/20 0.58
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
P2RX7 Q99572 1/20 0.43
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
LTA4H P09960 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19308408 0.81 LMNA (1.00) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL27367787 0.81 LMNA (0.66) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL1430518 0.80 HTT (0.64) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL4409751 0.78 LMNA (0.68) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL2857964 0.76 GAA (0.76) GAAALDH1A1POLBHSD17B10
SCHEMBL16353649 0.75 SHMT2 (0.58) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL19154145 0.75 LMNA (0.63) LMNAHTTGAANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL30225316 0.75 GAA (0.73) GAAALDH1A1POLBHSD17B10
SCHEMBL1594378 0.75 LMNA (0.52) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL23566413 0.74 LMNA (0.56) LMNAHTTGAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-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 (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-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 LMNA 2991/4885HTT 891/4885GAA 4405/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 LMNA 2991/4885HTT 891/4885GAA 4405/4885

“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.