SCHEMBL7932110

SCHEMBL7932110

CC(C)CN(Cc1ccccc1)C[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.50
CSNK1E P49674 1/20 0.48
LAP3 P28838 4/20 0.46
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
SLC6A2 P23975 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAOA P21397 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
EPHX1 P07099 1/20 0.42
TRPA1 O75762 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL16920027 1.00 SPPL2A (0.50) SPPL2ACSNK1ELAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL7306053 0.91 CSNK1E (0.49) SPPL2ACSNK1ELAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL7306058 0.91 CSNK1E (0.49) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL5945486 0.84 LTA4H (0.53) LAP3MAOA
SCHEMBL6444909 0.83 AOC3 (0.54) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL22626653 0.83 SPPL2A (0.53) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL13118762 0.83 SPPL2A (0.53) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL4048536 0.82 OPRK1 (0.47) SPPL2ACSNK1ESIGMAR1EPHX1OPRK1
SCHEMBL4042700 0.82 OPRK1 (0.47) SPPL2ACSNK1ESIGMAR1EPHX1OPRK1
SCHEMBL3614651 0.81 SPPL2A (0.52) SPPL2ACSNK1ELAP3ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346877-B1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B]FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL](ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE JANSSEN R & D IRELAND (IE) 2014-08-20 EP disclosed
US-8580981-B2 Process for the preparation of (3R,3aS,6aR)-hexahydrofuro [2,3-b] furan-3-yl (1S,2R)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate JANSSEN R&D IRELAND (IE) 2013-11-12 US disclosed
US-8580981-B2 Process for the preparation of (3R,3aS,6aR)-hexahydrofuro [2,3-b] furan-3-yl (1S,2R)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate JANSSEN R&D IRELAND (IE) 2013-11-12 US disclosed
US-20110160468-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE JANSSEN SCIENCES IRELAND UC (IE) 2011-06-30 US disclosed
US-20110160468-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE JANSSEN SCIENCES IRELAND UC (IE) 2011-06-30 US disclosed
WO-2010023322-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE TIBOTEC PHARMACEUTICALS (IE) 2010-03-04 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 (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-20110160468-A1 PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE HTR3C, HPD, HAAO SPPL2A 1719/4885CSNK1E 2409/4885LAP3 311/4885

“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.