SCHEMBL2344982

SCHEMBL2344982

CCC(C)OP(=O)(O)OCCN1CCN(c2c(C=O)c3ccccc3n2-c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.35
HRH3 Q9Y5N1 7/20 0.33
ADRA1B P35368 1/20 0.32
ADRA1D P25100 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
Hydrochloric Acid SCHEMBL2340480 0.99 PPARG (0.34) PPARGHRH3ADRA1BADRA1DDRD2
SCHEMBL2345000 0.92 MEN1 (0.35) HRH3DRD2DRD3KDM4EMAPT
Hydrochloric Acid SCHEMBL2342696 0.91 MEN1 (0.35) HRH3DRD2DRD3KDM4EMAPT
SCHEMBL2344978 0.85 PPARG (0.38) PPARGHRH3ADRA1BADRA1DDRD2
Hydrochloric Acid SCHEMBL2340476 0.84 PPARG (0.38) PPARGHRH3ADRA1BADRA1DDRD2
SCHEMBL2352078 0.80 ADRA1D (0.39) PPARGHRH3ADRA1BADRA1DPPARA
SCHEMBL2344994 0.76 MEN1 (0.37) HRH3DRD2DRD3
SCHEMBL2345067 0.76 HTR6 (0.40) PPARGADRA1DPPARA
Hydrochloric Acid SCHEMBL2342693 0.75 MEN1 (0.36) HRH3DRD2DRD3
SCHEMBL2349349 0.73 REN (0.42) PPARGPPARAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 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-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 PPARG 3713/4885HRH3 889/4885ADRA1B 1084/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 PPARG 3500/4885HRH3 1035/4885ADRA1B 1145/4885

“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.