SCHEMBL6736196

SCHEMBL6736196

Cc1[nH]cnc1CCC(O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GABRR1 P24046 1/20 0.42
HTR3A P46098 4/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
FDPS P14324 1/20 0.38
CD44 P16070 1/20 0.36
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2B P29275 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL6660307 0.82 HTR3A (0.32) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6736198 0.69 GABRR1 (0.33) GABRR1HTR3A
SCHEMBL11336370 0.69 GABRR1 (0.47) HRH4HRH3HRH2HRH1TDP1
SCHEMBL8659893 0.66 TRPA1 (0.37) TDP1SMN1; SMN2
SCHEMBL6569238 0.66
SCHEMBL6658784 0.66 HRH3 (0.56) HRH4HRH3HRH2HRH1TDP1
SCHEMBL7404052 0.66 CYP17A1 (0.31)
SCHEMBL11102609 0.65 HTR3A (0.54) HRH4HRH3HRH2HRH1TDP1
SCHEMBL10743073 0.65 HRH2 (0.53) HRH4HRH3HRH2HRH1TDP1
SCHEMBL8086291 0.65 KIF11 (0.34) TDP1

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-20040127718-A1 Substituted imidazoles NOVO NORDISK A/S (DK) 2004-07-01 US disclosed
US-20030181479-A1 Substituted imidazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-09-25 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 (2 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-20030181479-A1 Substituted imidazoles HRH3, HRH4, HRH2 HRH4 2/4885HRH3 1/4885HRH2 3/4885
US-20040127718-A1 Substituted imidazoles HRH3, HRH4, HRH2 HRH4 2/4885HRH3 1/4885HRH2 3/4885

“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.