SCHEMBL1551802

SCHEMBL1551802

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.47
TSHR P16473 10/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CASP1 P29466 1/20 0.47
SYK P43405 1/20 0.47
CYP2C9 P11712 7/20 0.46
CYP2C19 P33261 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
CTSK P43235 4/20 0.46
CYP1A2 P05177 5/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.44
CYP2D6 P10635 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL7950561 0.84 SYK (0.48) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL1558488 0.81 ATM (0.47) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL2243262 0.81 SYK (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL5605686 0.76 CASP1 (0.51) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL5605395 0.75 CASP1 (0.50) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL29365807 0.75 CTSK (0.50) CYP3A4TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL5605738 0.74 CYP3A4 (0.48) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL30772669 0.74 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23476693 0.74 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2CYP2C19
SCHEMBL23460666 0.74 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2CYP2C19

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 CYP3A4 3402/4885TSHR 4595/4885ALDH1A1 2573/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 CYP3A4 3598/4885TSHR 4168/4885ALDH1A1 2500/4885

“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.