SCHEMBL1551527

SCHEMBL1551527

NC(C(F)(F)F)C1(CC2CC2)CCC(O)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3540621 0.78
SCHEMBL3540618 0.78
SCHEMBL12349050 0.77
SCHEMBL4288374 0.76
SCHEMBL1551862 0.61 SHBG (0.31)
SCHEMBL1551888 0.61 SHBG (0.35) SLC6A4
SCHEMBL10576267 0.60 TSHR (0.41)
SCHEMBL149054 0.60 TSHR (0.41)
SCHEMBL1550898 0.59 SHBG (0.38)
SCHEMBL1550895 0.59 SHBG (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2313374-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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 (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-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 SLC6A4 3016/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 SLC6A4 3448/4885

“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.