SCHEMBL4664166

SCHEMBL4664166

Cc1cccc(CCC(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B3 P37058 1/20 0.40
PARP1 P09874 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MTNR1A P48039 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.38
HTT P42858 1/20 0.38
NR4A2 P43354 1/20 0.38
MPO P05164 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL27965286 0.85 P2RX7 (0.44) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL19837458 0.85 ALDH1A1 (0.47) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL17743752 0.84 FFAR1 (0.52) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL23015742 0.82 PARP1 (0.47) NPSR1RAB9APARP1SMN1; SMN2NOS2
SCHEMBL29351319 0.81 P2RX7 (0.49) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL6510299 0.81 P2RX7 (0.49) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL23015743 0.81 ADORA2A (0.40) NPSR1RAB9ASMN1; SMN2NOS2MTNR1A
SCHEMBL10966118 0.79 KMT2A (0.50) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL3886140 0.78 CYP4F2 (0.50) KMT2AMEN1OPRM1OPRD1SMN1; SMN2
SCHEMBL1432729 0.78 MTNR1A (0.46) NPSR1MTNR1AMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP claimed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO claimed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
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-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 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-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-10-04 US disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO 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 (6 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 P2RX7 123/4885KMT2A 1707/4885MEN1 3058/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 P2RX7 123/4885KMT2A 1707/4885MEN1 3058/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 P2RX7 123/4885KMT2A 1707/4885MEN1 3058/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 P2RX7 123/4885KMT2A 1707/4885MEN1 3058/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 P2RX7 123/4885KMT2A 1707/4885MEN1 3058/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 P2RX7 123/4885KMT2A 1707/4885MEN1 3058/4885

“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.