SCHEMBL17868817

SCHEMBL17868817

COc1ccccc1C(=O)c1c(C(N)=O)cccc1C1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
PARP1 P09874 2/20 0.44
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
BRPF1 P55201 1/20 0.42
HTR1A P08908 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PIN1 Q13526 1/20 0.40
HTR2A P28223 2/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 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
SCHEMBL15378065 0.86 PARP1 (0.42) HTR2CPARP1HTR2AHTR2B
SCHEMBL17868818 0.85 PARP1 (0.46) HTR2CPARP1SLC6A2SLC6A4SLC6A3
SCHEMBL17868821 0.84 CDK1 (0.46) HTR2CPARP1CDK1CDK4CCND1
SCHEMBL15380382 0.80 SLC6A2 (0.47) HTR2CPARP1CHRM4CHRM5SLC6A2
SCHEMBL22611747 0.78 PARP1 (0.48) PARP1CHRM2CHRM1SLC6A2SLC6A4
SCHEMBL22611546 0.78 PARP1 (0.48) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL22611821 0.78 PARP1 (0.48) PARP1CHRM2CHRM1SLC6A2SLC6A4
SCHEMBL14869717 0.78 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL5330092 0.78 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL5968190 0.78 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3

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 HTR2C 4198/4885PARP1 1174/4885CDK1 2670/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HTR2C 4198/4885PARP1 1174/4885CDK1 2670/4885

“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.