SCHEMBL1596097

SCHEMBL1596097

Cc1ccc2c(c1O)C[C@@H](C1CCN(Cc3cccc(Cl)c3)CC1)O[C@H]2CN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
HTR2C P28335 2/20 0.61
SLC6A3 Q01959 2/20 0.61
DRD1 P21728 4/20 0.48
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40

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
Bromide SCHEMBL1597617 0.99 ADRA2A (0.62) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL1597249 0.92 ADRA2A (0.67) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL1598287 0.91 ADRA2A (0.59) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL1597231 0.91 ADRA2A (0.63) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Bromide SCHEMBL1596493 0.91 ADRA2A (0.67) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL1597586 0.91 ADRA2A (0.66) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Bromide SCHEMBL1599375 0.90 ADRA2A (0.60) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Hydrochloric Acid SCHEMBL1598513 0.90 ADRA2A (0.62) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Hydrochloric Acid SCHEMBL1598427 0.90 ADRA2A (0.64) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL1596848 0.89 ADRA2A (0.61) ADRA2AADRA2BADRA2CHTR2CSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4685861-B2 2011-05-18 JP claimed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP claimed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US claimed
EP-1749001-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-02-07 EP claimed
WO-2005111025-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 WO claimed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
EP-1749001-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-02-07 EP disclosed
WO-2005111025-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 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-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 ADRA2A 31/4885ADRA2B 43/4885ADRA2C 12/4885

“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.