SCHEMBL6960846

SCHEMBL6960846

c1ccc(-c2ccccc2OCCC2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1B P35368 2/20 0.41
HTR7 P34969 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 1/20 0.39
HTT P42858 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37

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 SCHEMBL6960688 0.99 IDO1 (0.47) IDO1MAPK1TP53RAB9AADRA1A
SCHEMBL6963397 0.83 HTR1B (0.41) IDO1RAB9AADRA1AADRA1DMAOB
Hydrochloric Acid SCHEMBL6967610 0.82 HTR1B (0.40) IDO1RAB9AADRA1AADRA1DMAOB
Hydrochloric Acid SCHEMBL6963559 0.78 ADRA1A (0.40) ADRA1AADRA1DLMNAHTT
SCHEMBL6966088 0.77 ADRA1A (0.39) MAPK1ADRA1ALMNAKDM4EHTT
SCHEMBL6954794 0.77 CHRNB2 (0.51) ADRA1AADRA1DADRA1BMAOAMAOB
Hydrochloric Acid SCHEMBL6968688 0.76 ADRA1A (0.39) MAPK1ADRA1ALMNAKDM4EHTT
SCHEMBL6969187 0.76 S1PR4 (0.43) ADRA1A
Hydrochloric Acid SCHEMBL6967534 0.75 S1PR4 (0.43) MAPK1TP53ADRA1ALMNAMAPT
SCHEMBL6961726 0.73 ADRA1A (0.43) IDO1RAB9AADRA1AADRA1D

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 IDO1 105/4885MAPK1 2362/4885TP53 2638/4885

“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.