SCHEMBL3080508

SCHEMBL3080508

NCCCOc1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.46
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA1D P25100 3/20 0.39
HTR2C P28335 4/20 0.39
HTR2A P28223 3/20 0.39
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.37
HTR2B P41595 2/20 0.37
MPO P05164 1/20 0.37
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3455473 0.94 L3MBTL1 (0.44) HTR1BCTSBCTSSKDM4EL3MBTL1
SCHEMBL3070242 0.90 KDM4E (0.54) HTR1BKDM4EL3MBTL1TDP1ADRA1D
SCHEMBL7528742 0.84 HTR1B (0.46) HTR1BKDM4EL3MBTL1TDP1HTR2C
SCHEMBL14015 0.83 FFAR1 (0.44) HTR1BKDM4EL3MBTL1TDP1HTR2C
SCHEMBL3105565 0.83 FFAR1 (0.44) HTR1BKDM4EL3MBTL1TDP1HTR2C
SCHEMBL2334901 0.82 L3MBTL1 (0.41) KDM4EL3MBTL1TDP1ADRA1D
Hydrochloric Acid SCHEMBL3323581 0.82 FFAR1 (0.43) HTR1BKDM4EL3MBTL1HTR2CHTR2A
SCHEMBL9462246 0.82 L3MBTL1 (0.53) KDM4EL3MBTL1TDP1HTR2A
SCHEMBL7821195 0.81 L3MBTL1 (0.43) KDM4EL3MBTL1TDP1ADRA1D
SCHEMBL3455470 0.80 ADRA1D (0.42) CTSBCTSSKDM4EL3MBTL1TDP1

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 HTR1B 449/4885CTSB 178/4885CTSS 100/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 HTR1B 449/4885CTSB 178/4885CTSS 100/4885

“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.