SCHEMBL6733717

SCHEMBL6733717

Cc1cccc(C)c1NC(=S)N(C)C1CCN(CCCCOc2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
DRD2 P14416 3/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
EPHX2 P34913 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 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 0.93 HRH3 (0.44) HRH3DRD2HTR1AHTR2AEPHX2
SCHEMBL6732264 0.89 MEN1 (0.42) HRH3DRD2HTR1AHTR2AEPHX2
SCHEMBL6726011 0.88 EPHX2 (0.46) HRH3EPHX2SIGMAR1
SCHEMBL6725068 0.87 LMNA (0.46) HRH3EPHX2
SCHEMBL6729489 0.86 HRH3 (0.43) HRH3DRD2HTR1AHTR2A
SCHEMBL6733614 0.86 HRH3 (0.45) HRH3EPHX2
SCHEMBL6729282 0.86 LMNA (0.43) HRH3DRD2HTR1AHTR2AEPHX2
SCHEMBL6733435 0.85 HTR2A (0.46) HRH3DRD2HTR1AHTR2AEPHX2
SCHEMBL6726619 0.85 HRH3 (0.47) HRH3DRD2HTR1AHTR2AEPHX2
SCHEMBL6721710 0.85 KMT2A (0.45) DRD2HTR1AHTR2ASIGMAR1KDM4E

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 1028/4885DRD2 1334/4885HTR1A 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.