SCHEMBL7950561

SCHEMBL7950561

CCC(NC(=O)OCc1ccccc1)C1(C)CCC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CTSK P43235 4/20 0.47
CYP3A4 P08684 9/20 0.46
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 1/20 0.46
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1551802 0.84 CYP3A4 (0.47) SYKCTSKCYP3A4TSHRALDH1A1
SCHEMBL2243262 0.83 SYK (0.46) SYKCTSKCYP3A4TSHRALDH1A1
SCHEMBL1558691 0.81 ATM (0.49) SYKCTSKCYP3A4TSHRALDH1A1
SCHEMBL5605686 0.78 CASP1 (0.51) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL18033935 0.77 CTSB (0.49) CTSKCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL5605395 0.77 CASP1 (0.50) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL5605738 0.76 CYP3A4 (0.48) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
Bicarbonate SCHEMBL2746684 0.76 CTSB (0.48) CTSKCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL8267044 0.74 CYP3A4 (0.52) CTSKCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL12220545 0.73 SYK (0.69) SYKCTSKALDH1A1LMNAMEN1

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 5 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
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-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US 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 SYK 1027/4885CTSK 3943/4885CYP3A4 3402/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 SYK 913/4885CTSK 4069/4885CYP3A4 3598/4885

“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.