SCHEMBL1938008

SCHEMBL1938008

CCC(CC)N1CCn2cccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
P2RX7 Q99572 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
CRHR1 P34998 2/20 0.31
SLC6A2 P23975 1/20 0.31
CACNA2D1 P54289 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL1938021 0.88 LMNA (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL20940198 0.81 ACHE (0.35) LMNAKDM4EMAPTACHEP2RX7
SCHEMBL1938051 0.79 SLC6A2 (0.37) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL24026710 0.77 SLC6A2 (0.35) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL24026619 0.75 DHPS (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL23336562 0.75 LMNA (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL22456770 0.72 SLC6A2 (0.35) LMNAKDM4EMAPTACHERAB9A
SCHEMBL11916069 0.72 ACHE (0.37) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL1938869 0.70 CRHR1 (0.35) LMNACRHR1HRH3
SCHEMBL15228768 0.68 ACHE (0.37) LMNAKDM4EMAPTMEN1KMT2A

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
EP-2185561-B1 1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-6-carboxamide and 2,3,4,5-tetrahydropyrrolo(1,2-a)-diazepine-7-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2011-06-15 EP disclosed
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185561-A2 1,2,3,4-TETRAHYDROPYRROLOÝ1,2-A¨PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLOÝ1,2-A¨Ý1,4¨-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044007-A2 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-A][1,4]-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 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 (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-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CNR2, GRIK5, CNR1 LMNA 2922/4885KDM4E 1215/4885MAPT 1763/4885

“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.