SCHEMBL2343385

SCHEMBL2343385

CC(C)(C)OC(=O)N1CCN(c2c(C=O)c3ccccc3n2-c2ccc(-c3ccncc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
ALK Q9UM73 1/20 0.43
GBA1 P04062 2/20 0.43
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
WNT3A P56704 1/20 0.41
KIT P10721 2/20 0.41
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.40
RET P07949 1/20 0.40
PIK3CA P42336 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL2347655 0.89 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2345580 0.88 EGLN2 (0.48) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2343389 0.88 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2347320 0.87 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2345345 0.87 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2340499 0.85 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2345946 0.85 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL2364564 0.81 KIT (0.42) CHRM2CHRM4CHRM1CHRM3ALK
SCHEMBL8292306 0.81 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3ALK
SCHEMBL2339688 0.78 HTR2C (0.44)

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 CHRM2 3277/4885CHRM4 4461/4885CHRM1 2468/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 CHRM2 2656/4885CHRM4 3941/4885CHRM1 1884/4885

“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.