SCHEMBL3033379

SCHEMBL3033379

CN(C)CCCc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
OXER1 Q8TDS5 2/20 0.44
NR1H2 P55055 11/20 0.42
S1PR1 P21453 1/20 0.42
PIK3CD O00329 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
MTOR P42345 2/20 0.40
PIK3CG P48736 2/20 0.40
EPHB4 P54760 2/20 0.40
PRKDC P78527 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
LMNA P02545 1/20 0.40
NR1H3 Q13133 3/20 0.38
KCNH2 Q12809 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
SCHEMBL3046607 0.85 HTR6 (0.44) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL5746834 0.85 NR1H2 (0.50) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL10820368 0.84 OXER1 (0.48) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL1056456 0.84 NR1H2 (0.46) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL31370744 0.83 NR1H2 (0.45) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL5734736 0.82 OXER1 (0.42) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL28485964 0.82 NR1H2 (0.55) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL6099616 0.82 NR1H2 (0.49) OXER1NR1H2S1PR1PIK3CDABL1
SCHEMBL30137213 0.82 HTR6 (0.40) HTR6OXER1NR1H2S1PR1PIK3CD
SCHEMBL29658586 0.81 PIK3CD (0.44) HTR6OXER1NR1H2S1PR1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 HTR6 360/4885OXER1 644/4885NR1H2 21/4885

“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.