SCHEMBL6658347

SCHEMBL6658347

CC(=O)OCC1=CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
NR1H2 P55055 2/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ADORA1 P30542 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL6952329 0.86 ESR2 (0.39) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL4947670 0.83 ESR2 (0.44) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL6659330 0.82 ESR2 (0.43) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL13146164 0.82 NR1H2 (0.45) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL38665539 0.82 ESR2 (0.43) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL29120638 0.81 ESR2 (0.42) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL6664071 0.80 PTPN1 (0.35) SMN1; SMN2MAPTALDH1A1LMNAPTPN1
SCHEMBL29358867 0.80 NR1H2 (0.43) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL1673622 0.79 ESR2 (0.43) ESR2NR1H2MAPK1ALDH1A1GPR119
SCHEMBL7745371 0.79 SMN1; SMN2 (0.45) NR1H2MAPK1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080075-B1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMA INC (US) 2004-08-11 EP disclosed
US-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives AVENTIS PHARMACEUTICALS INC. (US) 2004-04-08 US disclosed
US-20020016339-A1 Piperididinyl and N-amidinopiperidinyl derivatives KLEIN SCOTT I (US) 2002-02-07 US disclosed
US-6277865-B1 ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-21 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 (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-20020016339-A1 Piperididinyl and N-amidinopiperidinyl derivatives F11, F5, TFPI ESR2 3380/4885NR1H2 1089/4885MAPK1 3046/4885
US-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives TFPI, F2, SERPINC1 ESR2 2570/4885NR1H2 1774/4885MAPK1 2899/4885

“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.