SCHEMBL3065244

SCHEMBL3065244

COCCCOc1ccc2ccc(CCl)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PTGES O14684 1/20 0.32
ITK Q08881 1/20 0.31
NOS1 P29475 3/20 0.31
NOS2 P35228 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL3072454 0.85 MTNR1A (0.42) MTNR1AMTNR1BMEN1MAPTKMT2A
SCHEMBL10181862 0.80 CYP1A2 (0.46) MEN1MAPTKMT2AALDH1A1
SCHEMBL15173216 0.72 TTR (0.50) TTR
SCHEMBL3068255 0.72 TSHR (0.41) MAPTKMT2AALDH1A1TTR
SCHEMBL8266316 0.71 MEN1 (0.35) MEN1MAPTKMT2AALDH1A1FFAR4
SCHEMBL3073300 0.71 TTR (0.40) KMT2AALDH1A1TTR
SCHEMBL3383173 0.71 MEN1 (0.44) MEN1MAPTKMT2AALDH1A1PIK3CD
SCHEMBL27696506 0.68 MAPT (0.59) MEN1MAPTKMT2AALDH1A1
SCHEMBL1846864 0.68 PIK3CD (0.44) MEN1MAPTKMT2APIK3CDPIK3CA
SCHEMBL31361968 0.67 ALDH1A1 (0.52) ALDH1A1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 MTNR1A 2695/4885MTNR1B 1389/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MTNR1A 2695/4885MTNR1B 1389/4885MEN1 2817/4885

“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.