SCHEMBL6660593

SCHEMBL6660593

Cc1[nH]cnc1CCCOCc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
REN P00797 8/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR4 Q13639 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
SCHEMBL6682337 0.86 HRH4 (0.41) HRH4HRH3RENCNR1CNR2
SCHEMBL6700085 0.83 HRH4 (0.43) HRH4HRH3REN
SCHEMBL6692241 0.81 HRH3 (0.43) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6681815 0.80 HRH3 (0.60) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6660013 0.80 NPC1 (0.47) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6666000 0.79 HRH3 (0.45) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6697145 0.78 PIN1 (0.42) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6660969 0.78 IDO1 (0.43) HRH4HRH3
SCHEMBL6666981 0.77 HRH3 (0.40) HRH4HRH3HRH2HRH1TDP1
SCHEMBL6658270 0.77 HRH3 (0.43) HRH4HRH3HRH2HRH1TDP1

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
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP claimed
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
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 WO claimed
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 1/4885REN 2752/4885
US-20040127718-A1 Substituted imidazoles HRH3, HRH4, HRH2 HRH4 2/4885HRH3 1/4885REN 2752/4885

“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.