SCHEMBL6925355

SCHEMBL6925355

CCOC(=O)C(O)(c1ccccn1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NOS2 P35228 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6924068 0.78 KEAP1 (0.51) LMNAKDM4ECHRM2CHRM1ALDH1A1
SCHEMBL6593985 0.78 CHRM2 (0.46) LMNACHRM2CHRM1SLC6A3KCNH2
SCHEMBL8329339 0.77 LMNA (0.47) LMNANOS2KDM4ECASP1HSD17B10
SCHEMBL28403527 0.77 LMNA (0.47) LMNANOS2KDM4ECASP1HSD17B10
SCHEMBL3134099 0.77 SMN1; SMN2 (0.48) LMNANOS2KDM4ECASP1HSD17B10
SCHEMBL10651815 0.76 LMNA (0.46) LMNANOS2KDM4ECASP1HSD17B10
SCHEMBL1171499 0.76 POLB (0.47) LMNAKDM4ECASP1HSD17B10SMN1; SMN2
SCHEMBL24129516 0.75 LMNA (0.43) LMNANOS2KDM4ECASP1HSD17B10
SCHEMBL8329336 0.74 LMNA (0.44) LMNANOS2KDM4ECASP1HSD17B10
SCHEMBL15631966 0.74 LMNA (0.44) LMNANOS2KDM4ECASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 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 (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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI LMNA 3844/4885NOS2 974/4885KDM4E 3420/4885

“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.