SCHEMBL17868812

SCHEMBL17868812

CCCCC(=O)c1c(C)ccc(C(N)=O)c1C1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.38
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL17868833 0.93 PARP1 (0.39) PARP1SLC6A2SLC6A4
SCHEMBL29057838 0.82 PARP1 (0.38) PARP1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL22611791 0.78 PARP1 (0.40) PARP1SLC6A2SLC6A4
SCHEMBL17868824 0.78 PARP1 (0.42) PARP1
SCHEMBL17868830 0.73 HTT (0.40) CHRM2ADRA2A
SCHEMBL22611822 0.73 PARP1 (0.50) PARP1SLC6A2SLC6A4CHRM2CHRM1
SCHEMBL29057800 0.72 GSK3B (0.34) PARP1CHRM1HRH1
SCHEMBL5808501 0.71 HTR2C (0.44) PARP1
SCHEMBL17868822 0.69 PARP1 (0.48) PARP1SLC6A2SLC6A4CHRM2CHRM1
SCHEMBL22611651 0.69 PLAT (0.40) PARP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT PARP1 1174/4885SLC6A2 920/4885SLC6A4 1993/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT PARP1 1174/4885SLC6A2 920/4885SLC6A4 1993/4885

“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.