SCHEMBL13778397

SCHEMBL13778397

CCCN(CC)Cc1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
KCNH2 Q12809 5/20 0.53
RORC P51449 1/20 0.45
PYCR1 P32322 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL15161688 0.91 HRH3 (0.65) HRH3KCNH2RORCPYCR1MAPT
SCHEMBL20287494 0.91 HRH3 (0.72) HRH3KCNH2RORCPYCR1MAPT
SCHEMBL12203962 0.88 KCNH2 (0.61) HRH3KCNH2MAPT
SCHEMBL5925786 0.87 HRH3 (0.70) HRH3KCNH2PYCR1
SCHEMBL12763728 0.87 HRH3 (0.62) HRH3KCNH2PYCR1
SCHEMBL24061143 0.86 HRH3 (0.84) HRH3KCNH2RORCPYCR1MAPT
SCHEMBL8252162 0.85 HRH3 (0.63) HRH3RORCPYCR1MAPT
Water SCHEMBL9810829 0.85 HRH3 (0.67) HRH3KCNH2PYCR1
SCHEMBL12679260 0.84 HRH3 (0.50) HRH3KCNH2
SCHEMBL17468352 0.82 HRH3 (0.60) HRH3KCNH2RORCPYCR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 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 (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-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 HRH3 266/4885KCNH2 4343/4885RORC 61/4885

“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.