SCHEMBL3065994

SCHEMBL3065994

N#CCc1cccc(F)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.38
ERN1 O75460 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
TSPO P30536 1/20 0.36
DRD3 P35462 1/20 0.36
MMP3 P08254 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ENPP2 Q13822 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
HTR7 P34969 1/20 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
SCHEMBL29893592 0.79 HPGD (0.40) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL837981 0.79 HPGD (0.40) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL28909080 0.79 ALDH1A1 (0.46) HPGDALDH1A1MAPTMMP3GABRA1
SCHEMBL29734785 0.79 TAAR1 (0.48) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL103401 0.79 TAAR1 (0.48) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL26109749 0.76 ALB (0.45) ALBERN1ALDH1A1FFAR1GABRA1
SCHEMBL31454483 0.76 HPGD (0.38) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL11919558 0.76 ALDH1A1 (0.38) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL19950139 0.76 HPGD (0.38) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL16680739 0.76 ALDH1A1 (0.40) HPGDALDH1A1MEN1MAPTKMT2A

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 ALB 999/4885ERN1 2941/4885HPGD 423/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALB 999/4885ERN1 2941/4885HPGD 423/4885

“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.