SCHEMBL6651979

SCHEMBL6651979

O=C1CCN(CCCCCOc2ccc(F)c(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 13/20 0.51
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6649042 0.99 HRH3 (0.52) MEN1LMNAHTTKMT2AHRH3
SCHEMBL9057922 0.83 LMNA (0.70) MEN1LMNAHTTKMT2AHRH3
SCHEMBL6653124 0.80 KDM4E (0.53) HRH3MAOAMAOB
SCHEMBL7821188 0.78 HRH3 (0.53) MEN1LMNAHTTKMT2AHRH3
Hydrochloric Acid SCHEMBL8055682 0.77 HRH3 (0.52) MEN1LMNAHTTKMT2AHRH3
SCHEMBL6655573 0.77 KMT2A (0.60) MEN1LMNAKMT2AHRH3MAOA
SCHEMBL3886790 0.77 KDM4E (0.59) HRH3ALDH1A1
SCHEMBL6652158 0.75 HRH3 (0.51) HRH3USP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6728490 0.74 HRH3 (0.50) HRH3USP2ALDH1A1HPGD
SCHEMBL7816469 0.74 HRH3 (0.57) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143971-B1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PF MEDICAMENT (FR) 2004-06-02 EP disclosed
US-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use PIERRE FABRE MEDICAMENT (FR) 2004-01-22 US disclosed
US-6583159-B1 Myocardial ischemia; cytoprotective properties PIERRE FABRE MEDICAMENT (FR) 2003-06-24 US disclosed
EP-1143971-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043011-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PIERRE FABRE MEDICAMENT (FR) 2000-07-27 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-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use AQP1, SLCO2A1, SLCO2B1 MEN1 1955/4885LMNA 3830/4885HTT 3902/4885

“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.