SCHEMBL6661592

SCHEMBL6661592

O=C(OCc1ccccc1)N1CCC=C(CI)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 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
TMEM97 Q5BJF2 7/20 0.45
SIGMAR1 Q99720 7/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
Iodide SCHEMBL7860350 0.99 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL17105128 0.88 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9177301 0.88 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL32677921 0.87 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6664780 0.85 ALDH1A1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9178843 0.81 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL17105506 0.81 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL17105179 0.81 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL17105456 0.80 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9625440 0.79 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 717/4885KMT2A 3772/4885NPSR1 481/4885
US-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives TFPI, F2, SERPINC1 MEN1 1300/4885KMT2A 4214/4885NPSR1 669/4885

“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.