SCHEMBL3030825

SCHEMBL3030825

N#CC1Cc2c(OCc3ccccc3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
HTR1A P08908 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM1A O60341 2/20 0.40
SGMS2 Q8NHU3 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL6520422 0.84 MAOA (0.53) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL11216122 0.77 CHRNA7 (0.40) MAOBHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL20573458 0.75 HTR1A (0.47) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL3029194 0.74 AGTR2 (0.50) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL3030925 0.73 MAOB (0.51) MAOBMAOAKDM1A
SCHEMBL9791959 0.72 AGTR2 (0.46) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL4985341 0.72 CHRNA7 (0.50) HTR1AHTR2CHTR2BKMT2AAGTR2
SCHEMBL12836290 0.72 HTR1A (0.79) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL16844583 0.70 AGTR2 (0.47) MAOBMAOAHTR1ASLC6A2SLC6A4
SCHEMBL16844584 0.70 AGTR2 (0.47) MAOBMAOAHTR1ASLC6A2SLC6A4

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
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 MAOB 21/4885MAOA 26/4885HTR1A 7/4885

“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.