SCHEMBL6732264

SCHEMBL6732264

CC(C)c1cccc(C(C)C)c1NC(=S)N(C)C1CCN(CCCCOc2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 6/20 0.41
HTR7 P34969 5/20 0.41
HTR2A P28223 4/20 0.41
DRD2 P14416 4/20 0.41
HRH3 Q9Y5N1 6/20 0.41
SIGMAR1 Q99720 1/20 0.40
EPHX2 P34913 1/20 0.39
CCR5 P51681 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6724363 0.90 HRH3 (0.44) HTR1AHTR2ADRD2HRH3SIGMAR1
SCHEMBL6733717 0.89 HRH3 (0.42) HTR1AHTR2ADRD2HRH3SIGMAR1
SCHEMBL6726011 0.85 EPHX2 (0.46) HRH3SIGMAR1EPHX2
SCHEMBL6725068 0.85 LMNA (0.46) HRH3EPHX2CCR5
SCHEMBL6733614 0.84 HRH3 (0.45) HRH3EPHX2CCR5
SCHEMBL6729489 0.84 HRH3 (0.43) HTR1AHTR2ADRD2HRH3CCR5
SCHEMBL6733435 0.83 HTR2A (0.46) MEN1KMT2AHTR1AHTR2ADRD2
SCHEMBL6721710 0.82 KMT2A (0.45) KMT2AHTR1AHTR7HTR2ADRD2
SCHEMBL6726619 0.82 HRH3 (0.47) HTR1AHTR2ADRD2HRH3SIGMAR1
SCHEMBL6729282 0.82 LMNA (0.43) HTR1AHTR2ADRD2HRH3EPHX2

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 MEN1 1955/4885KMT2A 2358/4885HTR1A 1193/4885

“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.