SCHEMBL6681815

SCHEMBL6681815

Cc1[nH]cnc1CCCOCc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
HRH4 Q9H3N8 4/20 0.60
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 3/20 0.36
GABRR1 P24046 1/20 0.35

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
SCHEMBL6696813 0.92 HRH3 (0.49) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6692241 0.85 HRH3 (0.43) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6667210 0.83 HRH3 (0.41) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6697788 0.83 HRH3 (0.56) HRH3HRH4APP
SCHEMBL6666981 0.81 HRH3 (0.40) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6666000 0.81 HRH3 (0.45) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6660593 0.80 HRH4 (0.42) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6658270 0.78 HRH3 (0.43) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6660501 0.78 TDP1 (0.39) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6664457 0.75 HRH4 (0.40) HRH3HRH4HRH2HRH1TDP1

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 6 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 claimed
US-20030181479-A1 Substituted imidazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-09-25 US claimed
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
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
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 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 (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 HRH3 1/4885HRH4 2/4885HRH2 3/4885
US-20040127718-A1 Substituted imidazoles HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885HRH2 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.