SCHEMBL5229329

SCHEMBL5229329

CCC(O)CCC(C#N)(c1cccs1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR1 P03372 1/20 0.33
CTSC P53634 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EBP Q15125 2/20 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
SCHEMBL5754086 0.81 CTSC (0.34) CTSCL3MBTL1MAPTKMT2AEBP
SCHEMBL5226414 0.80 CTSC (0.36) DPP4TSHRCYP2C19CTSCL3MBTL1
SCHEMBL14432518 0.80 CTSC (0.36) DPP4TSHRCYP2C19CTSCL3MBTL1
SCHEMBL5235546 0.80 L3MBTL1 (0.39) CYP2D6CYP2C9TSHRCYP2C19ESR1
SCHEMBL5228354 0.78 RAB9A (0.32) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14432523 0.78 CTSC (0.37) DPP4TSHRCTSCL3MBTL1ALDH1A1
SCHEMBL5751743 0.78 KDM4E (0.40) TSHRL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL7302669 0.77 HPGD (0.42) TSHRCTSCL3MBTL1ALDH1A1HPGD
SCHEMBL5227717 0.77 L3MBTL1 (0.39) CYP2D6CYP2C9TSHRCYP2C19ESR1
SCHEMBL7310949 0.75 L3MBTL1 (0.37) TSHRCTSCL3MBTL1ALDH1A1HPGD

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 DPP4 2683/4885CYP2D6 1076/4885CYP2C9 2620/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D DPP4 2956/4885CYP2D6 1160/4885CYP2C9 1993/4885

“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.