SCHEMBL6725705

SCHEMBL6725705

O=C1CCN(CCCOCCc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
SLC6A3 Q01959 6/20 0.47
HRH1 P35367 4/20 0.47
HTR7 P34969 3/20 0.47
CACNA1C Q13936 2/20 0.47
HTR2C P28335 2/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 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
SCHEMBL3884485 0.86 HRH3 (0.62) HRH3SIGMAR1
SCHEMBL7845393 0.84 SLC6A3 (0.56) HRH3SLC6A3DRD2SLC6A4SIGMAR1
SCHEMBL3715278 0.82 KCNJ1 (0.58) SLC6A3HTR7HTR2CHTR2AADRA1D
SCHEMBL7228646 0.81 SPHK1 (0.50) HRH3SLC6A3HRH1HTR7CACNA1C
SCHEMBL491979 0.80 HRH3 (0.71) HRH3SLC6A3HRH1HTR7CACNA1C
SCHEMBL3892994 0.80 HRH3 (0.54) HRH3SLC6A3HTR7HTR1AHTR2A
SCHEMBL6652166 0.77 CARM1 (0.49) HRH3SLC6A3HRH1HTR7CACNA1C
Hydrochloric Acid SCHEMBL6725030 0.76 CARM1 (0.48) HRH3SLC6A3HRH1HTR7CACNA1C
Methyl Alcohol SCHEMBL27755634 0.76 HRH3 (0.50) HRH3SLC6A3HTR7HTR1ADRD2
SCHEMBL9057922 0.75 LMNA (0.70) HRH3HRH1HTR7HTR1ADRD2

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
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-1144408-B1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PF MEDICAMENT (FR) 2002-09-25 EP 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
EP-1144408-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION 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
WO-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION 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 HRH3 1028/4885SLC6A3 1568/4885HRH1 1250/4885

“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.