SCHEMBL6136828

SCHEMBL6136828

NCC1CC1c1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
HTR2C P28335 15/20 0.40
HTR2B P41595 13/20 0.40
HTR2A P28223 8/20 0.40
MAOB P27338 2/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL2262101 1.00 HRH3 (0.46) HRH3HRH4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6705034 0.98 HRH3 (0.45) HRH3HRH4HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6782159 0.98 HRH3 (0.45) HRH3HRH4HTR2CHTR2BHTR2A
SCHEMBL1443461 0.86 HRH3 (0.49) HRH3HRH4
SCHEMBL1707111 0.86 HRH3 (0.49) HRH3HRH4
SCHEMBL3631767 0.86 HRH3 (0.49) HRH3HRH4
SCHEMBL6137258 0.81
SCHEMBL8314636 0.78 HRH3 (0.30) HRH3
SCHEMBL30210912 0.77
Vuf-5296 SCHEMBL6136537 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313470-A4 NOVEL ALICYCLIC IMIDAZOLES AS H 3 AGENTS GLIATECH INC (US) 2005-02-16 EP claimed
US-6794405-B2 Alicyclic imidazoles as H3 agents MERCK & CO., INC. 2004-09-21 US claimed
US-20040029943-A1 Novel alicylic imidazoles as H3 agents MERCK SHARP & DOHME CORP. 2004-02-12 US claimed
EP-1313470-A1 NOVEL ALICYCLIC IMIDAZOLES AS H 3 AGENTS GLIATECH, INC. (US) 2003-05-28 EP claimed
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents GLIATECH, INC. 2002-04-11 US claimed
WO-2002013821-A1 NOVEL ALICYCLIC IMIDAZOLES AS H3 AGENTS GLIATECH, INC. (US) 2002-02-21 WO claimed
US-6794405-B2 Alicyclic imidazoles as H3 agents MERCK & CO., INC. 2004-09-21 US disclosed
US-20040029943-A1 Novel alicylic imidazoles as H3 agents MERCK SHARP & DOHME CORP. 2004-02-12 US disclosed
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents GLIATECH, INC. 2002-04-11 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-20040029943-A1 Novel alicylic imidazoles as H3 agents HRH3, HRH2, HRH4 HRH3 1/4885HRH4 3/4885HTR2C 88/4885
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents HRH3, HRH2, HRH4 HRH3 1/4885HRH4 3/4885HTR2C 45/4885

“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.