SCHEMBL6663500

SCHEMBL6663500

CC(O)=C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 14/20 0.56
SIGMAR1 Q99720 14/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL2440342 0.82 TMEM97 (0.57) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL8323054 0.81 TMEM97 (0.56) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL16078941 0.81 TMEM97 (0.56) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5109854 0.80 MEN1 (0.71) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL1000788 0.80 MEN1 (0.71) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL7424105 0.80 MEN1 (0.71) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL3602428 0.79 MEN1 (0.62) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL30793400 0.79 TMEM97 (0.54) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL13784680 0.79 MEN1 (0.56) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL30793327 0.79 TMEM97 (0.54) TMEM97SIGMAR1MEN1KMT2ANPSR1

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 7 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
EP-1080075-A4 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARM PROD INC (US) 2001-06-27 EP disclosed
EP-1080075-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2001-03-07 EP disclosed
WO-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 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 (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 TMEM97 1923/4885SIGMAR1 2061/4885MEN1 717/4885
US-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives TFPI, F2, SERPINC1 TMEM97 3782/4885SIGMAR1 3863/4885MEN1 1300/4885

“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.