SCHEMBL13664936

SCHEMBL13664936

CC(=O)Nc1cc2c(cn1)C1(CCNCC1)OC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PIK3C3 Q8NEB9 3/20 0.38
HTR1F P30939 2/20 0.36
CRBN Q96SW2 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
FASN P49327 4/20 0.36
PTK2 Q05397 1/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
AVPR1A P37288 1/20 0.34
AAK1 Q2M2I8 2/20 0.33

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
Hydrochloric Acid SCHEMBL4076035 0.99 L3MBTL1 (0.39) L3MBTL1PIK3C3HTR1FCRBNHTR1A
Hydrochloric Acid SCHEMBL4068376 0.89 L3MBTL1 (0.39) L3MBTL1PIK3C3HTR1FCRBNHTR1A
SCHEMBL16836095 0.78 AVPR1A (0.47) FASNKCNH2MCHR1AVPR1A
SCHEMBL4071328 0.76 AVPR1A (0.44) KCNH2MCHR1AVPR1A
SCHEMBL1534968 0.75 MCHR1 (0.47) KCNH2MCHR1AVPR1A
Hydrochloric Acid SCHEMBL1002825 0.74 MCHR1 (0.46) KCNH2MCHR1AVPR1A
Hydrochloric Acid SCHEMBL4074084 0.74 NOS3 (0.34) KCNH2MCHR1AVPR1A
SCHEMBL16836255 0.70 AVPR1A (0.47) FASNAVPR1A
SCHEMBL30591620 0.68 KDM4E (0.43) FASN
SCHEMBL13519214 0.67 KCNH2 (0.37) KCNH2MCHR1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 L3MBTL1 1199/4885PIK3C3 4625/4885HTR1F 394/4885

“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.