SCHEMBL1596640

SCHEMBL1596640

COc1c(C)cccc1C[C@H](O)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 11/20 0.40
SLC6A3 Q01959 8/20 0.40
KCNH2 Q12809 1/20 0.39
GNAI3 P08754 1/20 0.38
HTR2C P28335 5/20 0.37
HTR1A P08908 1/20 0.37
NMT1 P30419 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL3159087 0.88 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL1596383 0.88 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL6989780 0.86 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2GNAI3
SCHEMBL9802763 0.86 NPSR1 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL14500631 0.84 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
Methanesulfonamide SCHEMBL6999861 0.79 CA2 (0.44) SLC6A2SLC6A4GNAI3HTR2C
Trifluoroacetamide SCHEMBL6993217 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3GNAI3
SCHEMBL11100910 0.73 TSHR (0.38) SLC6A4KCNH2
SCHEMBL3304652 0.71 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL16233145 0.71 GABRA1 (0.48) SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A2 41/4885SLC6A4 70/4885SLC6A3 6/4885

“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.