SCHEMBL6801136

SCHEMBL6801136

CCCCOC(=O)c1cnc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
HRH3 Q9Y5N1 6/20 0.45
HRH4 Q9H3N8 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 2/20 0.45
ESR1 P03372 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 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
SCHEMBL20487937 0.90 ALDH1A1 (0.44) LMNATSHRTDP1HRH3ESR1
SCHEMBL1720771 0.83 KDM4E (0.46) TSHRCYP1A2ESR1CYP2C19SMN1; SMN2
SCHEMBL22372189 0.79 PHLPP2 (0.45) LMNAHRH3HRH4CYP1A2MAPK1
SCHEMBL31283965 0.79 HRH3 (0.44) LMNAMMP1MMP9MMP12HRH3
SCHEMBL7368064 0.75 LMNA (0.44) LMNAL3MBTL1HRH3HRH4CYP1A2
SCHEMBL692343 0.73
SCHEMBL4366142 0.72 MMP2 (0.58) LMNAL3MBTL1TSHRTDP1MMP1
SCHEMBL4186059 0.72 HRH2 (0.47) HRH3
SCHEMBL2916977 0.72 HRH2 (0.47) HRH3
SCHEMBL2916182 0.72 HRH2 (0.47) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 LMNA 608/4885L3MBTL1 4333/4885TSHR 4593/4885

“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.