SCHEMBL6320449

SCHEMBL6320449

COc1ccc(C(CCCN(Cc2ccccc2)C[C@@H](O)c2ccc(OCc3ccccc3)c(N)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 6/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.39
SLC1A5 Q15758 1/20 0.38
AOC3 Q16853 1/20 0.38
BCHE P06276 2/20 0.38
HCRTR2 O43614 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL6320445 1.00 NR1H3 (0.47) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL7607627 0.94 NR1H3 (0.44) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL7607631 0.94 NR1H3 (0.44) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL7611102 0.90 NR1H3 (0.46) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL7610361 0.90 NR1H3 (0.46) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL6327236 0.89 ALDH1A1 (0.52) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL7608453 0.88 ALOX5 (0.40) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL11670452 0.86 MEN1 (0.39) NR1H3POLBMEN1KMT2ABCHE
SCHEMBL6320375 0.83 ALDH1A1 (0.54) NR1H3ALDH1A1MAPTNPC1POLB
SCHEMBL7612133 0.83 ALDH1A1 (0.54) NR1H3ALDH1A1MAPTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 NR1H3 858/4885ALDH1A1 197/4885MAPT 1461/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 NR1H3 1004/4885ALDH1A1 183/4885MAPT 1674/4885

“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.