SCHEMBL5227717

SCHEMBL5227717

CC(C)C(C#N)(CCCI)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP3A4 P08684 5/20 0.34
ABCB1 P08183 4/20 0.31
CYP3A5 P20815 1/20 0.31
ABCC1 P33527 3/20 0.30
CYP2C19 P33261 2/20 0.30
ESR1 P03372 1/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
CACNA1F O60840 1/20 0.30
ABCB11 O95342 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 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
SCHEMBL5235546 0.86 L3MBTL1 (0.39) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7302669 0.80 HPGD (0.42) L3MBTL1EBPSIGMAR1TSHRGAA
SCHEMBL5754086 0.79 CTSC (0.34) L3MBTL1EBPSIGMAR1KMT2AMAPT
SCHEMBL7310949 0.78 L3MBTL1 (0.37) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL14432577 0.78 RAB9A (0.43) L3MBTL1HTR1ADRD2KCNA3OPRM1
SCHEMBL14432518 0.78 CTSC (0.36) L3MBTL1EBPSIGMAR1CYP2C19TSHR
SCHEMBL5226414 0.78 CTSC (0.36) L3MBTL1EBPSIGMAR1CYP2C19TSHR
SCHEMBL5754628 0.77 L3MBTL1 (0.34) L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL5232512 0.77 CCR1 (0.39) L3MBTL1EBPSIGMAR1MEN1CHRM2
SCHEMBL5229329 0.77 DPP4 (0.34) L3MBTL1EBPSIGMAR1CYP2C19ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E L3MBTL1 4729/4885EBP 560/4885SIGMAR1 143/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D L3MBTL1 4819/4885EBP 964/4885SIGMAR1 133/4885

“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.