SCHEMBL6961813

SCHEMBL6961813

c1ccc(COCCC2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.41
HRH4 Q9H3N8 5/20 0.40
HRH3 Q9Y5N1 5/20 0.40
ADRA1D P25100 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
AGTR2 P50052 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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 SCHEMBL6963559 0.99 ADRA1A (0.40) ADRA1AHRH4HRH3ADRA1DTAAR1
SCHEMBL6967712 0.81 NAAA (0.44) ADRA1AHRH4HRH3ADRA1D
SCHEMBL6962280 0.80 DRD2 (0.46) ADRA1AHRH4HRH3ADRA1D
SCHEMBL6962222 0.79 DRD2 (0.43) ADRA1AHRH3ADRA1D
SCHEMBL6967721 0.78 DRD2 (0.42) ADRA1AHRH3ADRA1D
SCHEMBL6962539 0.77 ADRA1A (0.45) ADRA1AHRH3ADRA1DCDC7DBF4
SCHEMBL6966088 0.77 ADRA1A (0.39) ADRA1ATSHRLMNAHTT
Hydrochloric Acid SCHEMBL6968688 0.76 ADRA1A (0.39) ADRA1ATSHRLMNAHTT
SCHEMBL6963397 0.75 HTR1B (0.41) ADRA1AHRH3ADRA1D
SCHEMBL6963118 0.75 LTA4H (0.46) ADRA1A

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 ADRA1A 212/4885HRH4 1/4885HRH3 2/4885

“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.