SCHEMBL1551888

SCHEMBL1551888

CCC(N)C1(C(F)(F)F)CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
SLC6A4 P31645 3/20 0.32
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
PITRM1 Q5JRX3 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2241111 0.75 SHBG (0.39) SHBGDPP4
SCHEMBL2241115 0.75 SHBG (0.39) SHBGDPP4
SCHEMBL4288958 0.74 PPM1D (0.30)
SCHEMBL1550895 0.73 SHBG (0.38) SHBG
SCHEMBL1550898 0.73 SHBG (0.38) SHBG
SCHEMBL1550894 0.73 SHBG (0.38) SHBG
SCHEMBL1551148 0.70 SHBG (0.35) SHBG
SCHEMBL1551549 0.68 SHBG (0.37) SHBG
SCHEMBL1551550 0.68 SHBG (0.37) SHBG
SCHEMBL3636569 0.67 DPP4 (0.32) DPP4FAPPITRM1DPP8DPP9

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 14 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-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-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
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 SHBG 4434/4885SLC6A4 3016/4885DPP4 4592/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 SHBG 4438/4885SLC6A4 3448/4885DPP4 4764/4885

“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.