SCHEMBL6954302

SCHEMBL6954302

C(=Cc1ccccc1)COCC1CCc2c(ncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
HTR2A P28223 8/20 0.45
HTR2C P28335 8/20 0.45
HTR2B P41595 8/20 0.45
DRD2 P14416 4/20 0.43
DPP4 P27487 1/20 0.31
IDO1 P14902 2/20 0.31
OPRM1 P35372 1/20 0.30
ALOX5 P09917 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL6954300 1.00 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6968686 0.92 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6968684 0.92 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6965541 0.79 NAAA (0.42)
SCHEMBL6963804 0.79 SIGMAR1 (0.41) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6958774 0.77 TACR1 (0.36) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6846766 0.77 CHRM3 (0.33)
SCHEMBL6852753 0.77 CHRM3 (0.33)
SCHEMBL6957860 0.77 CNR1 (0.35) HTR2AHTR2CHTR2BALOX5
SCHEMBL6957912 0.77 HTR2A (0.35) SIGMAR1HTR2AHTR2CHTR2BOPRM1

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 SIGMAR1 269/4885HTR2A 104/4885HTR2C 54/4885

“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.