SCHEMBL3615320

SCHEMBL3615320

BrCCCCOc1cccn2ccnc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
NUDT1 P36639 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA3 P22001 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE5A O76074 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31

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
SCHEMBL10647032 0.84 SSTR4 (0.41) SSTR4MEN1KMT2ALMNAPDE5A
SCHEMBL1289975 0.81 PDE5A (0.47) SSTR4NUDT1MEN1KMT2ALMNA
SCHEMBL28985981 0.81 KDM4E (0.48) SSTR4NUDT1MAPK1HPGDSMN1; SMN2
SCHEMBL9117305 0.79 SSTR4 (0.42) SSTR4NUDT1TSHRMEN1KMT2A
SCHEMBL7845952 0.75 SSTR4 (0.36) SSTR4TSHRMEN1KMT2ALMNA
SCHEMBL9186095 0.74 SYK (0.49) ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL28986031 0.74 SSTR4 (0.43) SSTR4NUDT1TSHRMEN1KMT2A
SCHEMBL9183816 0.74 TSHR (0.54) TSHRSMN1; SMN2TDP1HRH3
SCHEMBL183867 0.73 ATP4A (0.51) SSTR4MEN1KMT2AMAPK1TDP1
SCHEMBL3317155 0.73 SSTR4 (0.41) SSTR4NUDT1ALDH1A1SMN1; SMN2TDP1

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 SSTR4 960/4885NUDT1 2015/4885TSHR 909/4885

“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.