SCHEMBL16267366

SCHEMBL16267366

CC(C(=O)O)c1c(Cl)cccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
S1PR3 Q99500 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTGS1 P23219 3/20 0.35
CHRM1 P11229 1/20 0.35
PGR P06401 1/20 0.35
PTGS2 P35354 3/20 0.35
DYRK1A Q13627 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL1878222 0.82 CXCL8 (0.51) CXCL8KDM4EALDH1A1HPGDAKR1C3
SCHEMBL31445485 0.81 RIPK1 (0.38) L3MBTL1RIPK1HPGDAKR1C3AKR1C2
SCHEMBL807519 0.79 DYRK1A (0.41) L3MBTL1RIPK1ALDH1A1HPGDGAA
SCHEMBL31445554 0.78 KMT2A (0.44) KDM4EALDH1A1HPGDGAAAKR1C3
SCHEMBL3060819 0.76 CXCL8 (0.46) CXCL8KDM4EALDH1A1HPGDAKR1C3
SCHEMBL11139560 0.75 CXCL8 (0.45) CXCL8L3MBTL1RIPK1KDM4EALDH1A1
SCHEMBL18896405 0.73 L3MBTL1 (0.40) L3MBTL1RIPK1KDM4EALDH1A1HPGD
SCHEMBL3045697 0.73 CXCL8 (0.44) CXCL8ALDH1A1AKR1C3AKR1C2PTGS1
SCHEMBL7050570 0.73 L3MBTL1 (0.45) CXCL8L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL31561697 0.73 L3MBTL1 (0.45) CXCL8L3MBTL1KDM4EALDH1A1HPGD

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-3004061-B1 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS LILLY CO ELI (US) 2017-08-30 EP disclosed
EP-3004061-A1 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS ELI LILLY AND CO. (US) 2016-04-13 EP disclosed
US-8962654-B2 3,4-dihydroisoquinolin-2(1H)-yl compounds ELI LILLY AND COMPANY (US) 2015-02-24 US disclosed
WO-2014193781-A1 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2014-12-04 WO disclosed
US-20140357664-A1 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2014-12-04 US 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-20140357664-A1 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS PARK7, SNCA, COMT CXCL8 3587/4885L3MBTL1 3705/4885RIPK1 1851/4885

“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.