SCHEMBL13660600

SCHEMBL13660600

c1cc([C@H]2CC[C@H]3CCCCN32)ccc1OCCC1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
LTA4H P09960 12/20 0.40
KCNH2 Q12809 1/20 0.40
CHEK2 O96017 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4288775 0.93 LTA4H (0.41) HRH3LTA4HKCNH2CHEK2
SCHEMBL13660544 0.80 HRH3 (0.56) HRH3LTA4HKCNH2CYP3A4CYP2C9
SCHEMBL4293402 0.80 HRH3 (0.56) HRH3LTA4HKCNH2CYP3A4CYP2C9
SCHEMBL4293480 0.79 HRH3 (0.49) HRH3LTA4HKCNH2CYP3A4CYP2C9
SCHEMBL4293467 0.79 HRH3 (0.49) HRH3LTA4HKCNH2CYP3A4CYP2C9
SCHEMBL4293472 0.79 HRH3 (0.49) HRH3LTA4HKCNH2CYP3A4CYP2C9
SCHEMBL4431777 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4438040 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL6701198 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4294139 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885LTA4H 399/4885KCNH2 470/4885

“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.