SCHEMBL3556347

SCHEMBL3556347

O=C(O)C1(c2ccccc2)CC1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
AKR1C1 Q04828 1/20 0.40
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 5/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A3 Q01959 3/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 1/20 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
SCHEMBL27566594 0.86 MAOB (0.41) MAOBSLC6A2SLC6A4ALOX15SLC6A3
SCHEMBL1582016 0.78 NPC1 (0.39)
SCHEMBL1582095 0.78 GCK (0.38) LMNAHTTSLC6A2
SCHEMBL1581954 0.77 GCK (0.40)
SCHEMBL1581770 0.77 GCK (0.40) LMNAHTTSLC6A2SLC6A4SLC6A3
SCHEMBL1581700 0.77 HSD11B1 (0.42) CYP2D6
SCHEMBL9825525 0.75 AKR1C1 (0.46) LMNAHTTAKR1C1SLC6A2SLC6A4
SCHEMBL4284677 0.75 MAOB (0.47) MAOBLMNAHTTAKR1C1SLC6A2
SCHEMBL28868714 0.75 MAOB (0.66) MAOBLMNAHTTAKR1C1SLC6A2
SCHEMBL5437376 0.75 MAOB (0.47) MAOBAKR1C1SLC6A2SLC6A4SLC6A3

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 MAOB 214/4885LMNA 3456/4885HTT 1624/4885

“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.