SCHEMBL6664071

SCHEMBL6664071

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL7745371 0.86 SMN1; SMN2 (0.45) PTPN1ALDH1A1POLBSMN1; SMN2CHRM5
SCHEMBL6658347 0.80 ESR2 (0.43) PTPN1ALDH1A1SMN1; SMN2CHRM1CHRM2
SCHEMBL9640940 0.73 LMNA (0.33) ALDH1A1CHRM5CHRM1CHRM2CHRM4
SCHEMBL7740552 0.69 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2KMT2AKDM4E
SCHEMBL27555817 0.68 KMT2A (0.32) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL6952329 0.66 ESR2 (0.39) SMN1; SMN2
SCHEMBL17105128 0.65 MEN1 (0.51) HTTSMN1; SMN2KMT2A
SCHEMBL5405289 0.64 ALDH1A1 (0.46) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL9177301 0.64 MEN1 (0.53) ALDH1A1HTTSMN1; SMN2KMT2AGAA
SCHEMBL14855693 0.64

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 PTPN1 3791/4885ALDH1A1 1660/4885POLB 1730/4885
US-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives TFPI, F2, SERPINC1 PTPN1 3727/4885ALDH1A1 1920/4885POLB 1949/4885

“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.