SCHEMBL6726619

SCHEMBL6726619

CN(C(=S)Nc1ccc(Cl)cc1)C1CCN(CCCCOc2ccc(F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.47
SIGMAR1 Q99720 2/20 0.44
LMNA P02545 2/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL6733435 0.94 HTR2A (0.46) HRH3LMNAEPHX2KDM4EGAA
SCHEMBL6729282 0.93 LMNA (0.43) HRH3LMNAEPHX2KDM4EGAA
SCHEMBL6721710 0.93 KMT2A (0.45) SIGMAR1LMNAKDM4EGAASMN1; SMN2
SCHEMBL6725068 0.92 LMNA (0.46) HRH3LMNAEPHX2
SCHEMBL6733614 0.91 HRH3 (0.45) HRH3LMNAEPHX2
SCHEMBL6725991 0.89 LMNA (0.47) HRH3LMNAEPHX2KDM4EGAA
SCHEMBL6726011 0.88 EPHX2 (0.46) HRH3SIGMAR1LMNAEPHX2SMN1; SMN2
SCHEMBL6725012 0.88 HRH3 (0.46) HRH3LMNAEPHX2KDM4EGAA
SCHEMBL6724363 0.86 HRH3 (0.44) HRH3SIGMAR1EPHX2KDM4EHTR1A
SCHEMBL6729489 0.85 HRH3 (0.43) HRH3GAAHTR1ADRD2HTR2A

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 2 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

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 1028/4885SIGMAR1 74/4885LMNA 3830/4885

“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.