SCHEMBL2329045

SCHEMBL2329045

O=[C]CC1COc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
CA2 P00918 4/20 0.53
MTNR1A P48039 1/20 0.53
ADRA2A P08913 2/20 0.51
ADRA1A P35348 2/20 0.51
HTR1A P08908 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
DRD3 P35462 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1B P35368 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
ALOX5 P09917 1/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL407408 0.82 ADRA2A (0.51) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL1568315 0.79 HTT (0.60) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL3976823 0.78 L3MBTL1 (0.56) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL11542575 0.76 HTT (0.57) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL1568393 0.76 HTT (0.66) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL439092 0.76 ADRA2A (0.60) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL7199309 0.76 ADRA2A (0.56) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL9671960 0.76 ADRA2A (0.56) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL11484814 0.76 ADRA2A (0.56) HTTCA2MTNR1AADRA2AADRA1A
SCHEMBL3266284 0.76 ADRA2A (0.60) HTTCA2MTNR1AADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP 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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 HTT 592/4885CA2 2444/4885MTNR1A 2924/4885

“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.