SCHEMBL6658784

SCHEMBL6658784

Cc1[nH]cnc1CCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
HRH4 Q9H3N8 2/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KCNA3 P22001 1/20 0.47
KCNH2 Q12809 1/20 0.45
GABRR1 P24046 1/20 0.44
DHFR P00374 1/20 0.43
HTR1B P28222 1/20 0.42
LTA4H P09960 1/20 0.42
HTR3A P46098 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6660013 0.80 NPC1 (0.47) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6681517 0.78 HRH3 (0.46) HRH3HRH4HRH2HRH1TDP1
SCHEMBL6736067 0.78 HRH3 (0.46) HRH3HRH4HRH2HRH1TDP1
SCHEMBL11041850 0.72 HRH4 (0.60) HRH3HRH4HRH2HRH1TDP1
SCHEMBL24023138 0.70 HRH3 (0.58) HRH3HRH4HRH2HRH1TDP1
SCHEMBL14131260 0.69
SCHEMBL10741491 0.68 HRH2 (0.55) HRH3HRH4HRH2HRH1TDP1
SCHEMBL5157359 0.68 GABRR1 (0.56) HRH3HRH4HRH2HRH1TDP1
SCHEMBL1490164 0.67 KCNA3 (1.00) KCNA3HTR1BLTA4HALDH1A1
SCHEMBL1025 0.67 KCNA3 (0.88) KCNA3HTR1BLTA4HALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.