SCHEMBL3609506

SCHEMBL3609506

BrCCCCOc1ccn2nnnc2c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
HMOX2 P30519 1/20 0.32
ALDH2 P05091 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL3616028 0.72 DRD2 (0.51) NOS1HMOX2
SCHEMBL3618084 0.66 MEN1 (0.30)
SCHEMBL3608873 0.65 HRH3 (0.36) NOS1HMOX2MAOAMAOB
SCHEMBL11615899 0.65 KCNA3 (0.55) MAOA
SCHEMBL3615271 0.64 ROCK1 (0.43) MAOB
SCHEMBL30209074 0.63 PRMT1 (0.54) MAOA
SCHEMBL29864772 0.63 PRMT1 (0.54) MAOA
SCHEMBL14095592 0.63 PRMT1 (0.54) MAOA
SCHEMBL12691913 0.63 PLA2G2A (0.47) MAOA
SCHEMBL30720430 0.63 PRMT1 (0.54) MAOA

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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 NOS1 2975/4885HMOX2 2347/4885ALDH2 1516/4885

“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.