SCHEMBL6963397

SCHEMBL6963397

c1ccc2c(OCCC3CCc4[nH]cnc4C3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.41
IDO1 P14902 3/20 0.40
DRD4 P21917 1/20 0.39
KCNA3 P22001 1/20 0.39
MAOB P27338 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTR1D P28221 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL6967610 0.99 HTR1B (0.40) HTR1BIDO1DRD4KCNA3MAOB
SCHEMBL6960456 0.88 METAP2 (0.43) HTR1BDRD4KCNA3MAOBADRA1D
SCHEMBL6960846 0.83 IDO1 (0.48) IDO1MAOBADRA1DADRA1AMEN1
Hydrochloric Acid SCHEMBL6960688 0.82 IDO1 (0.47) IDO1MAOBADRA1DADRA1AMEN1
SCHEMBL6966793 0.76 ADRA1A (0.41) ADRA1DADRA1A
SCHEMBL6966088 0.76 ADRA1A (0.39) ADRA1AMEN1KMT2AALDH1A1MAPT
SCHEMBL6851355 0.76 HTR1B (0.44) HTR1BMAOBHTR1DMEN1KMT2A
SCHEMBL6969187 0.75 S1PR4 (0.43) ADRA1A
Hydrochloric Acid SCHEMBL6963559 0.74 ADRA1A (0.40) ADRA1DADRA1AHRH3
Hydrochloric Acid SCHEMBL6967534 0.74 S1PR4 (0.43) ADRA1AMAPT

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
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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 (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-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 HTR1B 210/4885IDO1 105/4885DRD4 1599/4885

“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.