SCHEMBL1801867

SCHEMBL1801867

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 1/20 0.36
HSD11B1 P28845 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL1799557 0.86 HPGD (0.39) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL1803209 0.86 TSHR (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1HSD11B1
SCHEMBL2942484 0.84 SMN1; SMN2 (0.41) ATMSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1802416 0.84 HRH3 (0.48) HSD11B1MGLL
SCHEMBL1804472 0.82 PROKR1 (0.35) KMT2AMEN1POLBMGLL
SCHEMBL1800342 0.81 MAPT (0.42) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL1801988 0.80 CHRNA4 (0.36)
SCHEMBL1798634 0.80 GAA (0.38) SMN1; SMN2HTTPOLBALDH1A1
SCHEMBL1800700 0.80 CYP3A4 (0.37) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL1798561 0.78 CCR5 (0.35) HTTKMT2AMEN1ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 ATM 2943/4885SMN1; SMN2 2139/4885NPC1 479/4885

“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.