SCHEMBL19116647

SCHEMBL19116647

CC(C)CC(=O)Nc1nncs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
POLB P06746 4/20 0.56
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ESR2 Q92731 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12649504 0.81 POLB (0.60) LMNAPKMSMN1; SMN2HTTPOLB
SCHEMBL2872394 0.79 POLB (0.58) LMNASMN1; SMN2HTTPOLBKDM4E
SCHEMBL8356392 0.77 POLB (0.56) LMNASMN1; SMN2HTTPOLBKDM4E
SCHEMBL1107001 0.77 LMNA (0.62) LMNAPKMSMN1; SMN2POLBKDM4E
SCHEMBL1970389 0.77 POLB (0.56) LMNASMN1; SMN2HTTPOLBKDM4E
SCHEMBL564354 0.76
SCHEMBL11172873 0.75 LMNA (0.50) LMNAPKMSMN1; SMN2POLBKDM4E
SCHEMBL11188552 0.75 LMNA (0.50) LMNAPKMSMN1; SMN2POLBKDM4E
SCHEMBL11179515 0.75 LMNA (0.50) LMNAPKMSMN1; SMN2POLBKDM4E
SCHEMBL11148031 0.75 POLB (0.66) LMNASMN1; SMN2HTTPOLBKDM4E

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-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US disclosed
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 US disclosed
US-20170197971-A1 3-(Carboxymethyl)-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 (4 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-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 LMNA 1276/4885PKM 1280/4885SMN1; SMN2 490/4885
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 LMNA 1276/4885PKM 1280/4885SMN1; SMN2 490/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 LMNA 1276/4885PKM 1280/4885SMN1; SMN2 490/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 LMNA 1276/4885PKM 1280/4885SMN1; SMN2 490/4885

“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.