SCHEMBL1664728

SCHEMBL1664728

O=C(O)N1CCC(c2nc(Cl)c(Cl)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 8/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 2/20 0.38
FASN P49327 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL20909015 0.82 IRAK4 (0.40) HTR2BLMNAL3MBTL1PARP1FASN
SCHEMBL16992152 0.80 ALDH1A1 (0.49) LMNAL3MBTL1ALDH1A1HPGDHTT
SCHEMBL20292177 0.79 CHRM4 (0.39) L3MBTL1PARP1
SCHEMBL1662518 0.76 HTR2B (0.39) HTR2BLMNAL3MBTL1PARP1
SCHEMBL17001834 0.76 PARP1 (0.42) LMNAPARP1ALDH1A1
SCHEMBL9894320 0.75 HTR2B (0.38) HTR2BLMNAL3MBTL1PARP1
SCHEMBL15555052 0.74 HTR2B (0.38) HTR2BPARP1ALDH1A1
SCHEMBL4121296 0.72 HTR2B (0.72) HTR2B
SCHEMBL27766579 0.71 HTR2B (0.37) HTR2BL3MBTL1PARP1HPGDHTT
SCHEMBL2511920 0.70 HTR2B (0.47) HTR2BLMNAL3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 HTR2B 3577/4885LMNA 4267/4885L3MBTL1 4845/4885

“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.