SCHEMBL6138252

SCHEMBL6138252

NC[C@@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.44
HTR2B P41595 17/20 0.44
HTR2A P28223 10/20 0.44
MAOB P27338 2/20 0.44
ENPP2 Q13822 1/20 0.40
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6138239 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBENPP2
SCHEMBL6137115 0.86 ENPP2 (0.40) ENPP2CYP11B1CYP11B2
SCHEMBL6699094 0.86 ENPP2 (0.40) ENPP2CYP11B1CYP11B2
SCHEMBL8846372 0.84 ENPP2 (0.44) HTR2CMAOBENPP2SLC6A2SLC6A3
SCHEMBL20525220 0.83 ENPP2 (0.38) ENPP2CYP11B1CYP11B2
SCHEMBL7784621 0.81 ENPP2 (0.37) ENPP2CYP11B1CYP11B2
SCHEMBL7979145 0.80 ENPP2 (0.43) HTR2CHTR2BHTR2AMAOBENPP2
SCHEMBL7784260 0.80 ENPP2 (0.43) HTR2CHTR2BHTR2AMAOBENPP2
SCHEMBL7779693 0.80 ENPP2 (0.43) HTR2CHTR2BHTR2AMAOBENPP2
SCHEMBL30210402 0.80 ENPP2 (0.43) HTR2CHTR2BHTR2AMAOBENPP2

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-1313470-A4 NOVEL ALICYCLIC IMIDAZOLES AS H 3 AGENTS GLIATECH INC (US) 2005-02-16 EP disclosed
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
EP-1313470-A1 NOVEL ALICYCLIC IMIDAZOLES AS H 3 AGENTS GLIATECH, INC. (US) 2003-05-28 EP disclosed
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents GLIATECH, INC. 2002-04-11 US disclosed
WO-2002013821-A1 NOVEL ALICYCLIC IMIDAZOLES AS H3 AGENTS GLIATECH, INC. (US) 2002-02-21 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 (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 HTR2C 88/4885HTR2B 97/4885HTR2A 114/4885
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents HRH3, HRH2, HRH4 HTR2C 45/4885HTR2B 50/4885HTR2A 82/4885

“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.