SCHEMBL10136832

SCHEMBL10136832

Cc1ccc2c(c1)N(CCCN1CCN(CCNC(=O)[C@@H](N)CC(N)=O)CC1)c1ccccc1S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.52
DRD2 P14416 5/20 0.51
HRH1 P35367 5/20 0.51
DRD3 P35462 5/20 0.51
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
SLC6A2 P23975 4/20 0.51
HTR2A P28223 4/20 0.51
SLC6A4 P31645 4/20 0.51
HTR2B P41595 4/20 0.51
DRD1 P21728 3/20 0.51
HTR1A P08908 3/20 0.51
ADRA1A P35348 3/20 0.51
SLC6A3 Q01959 3/20 0.51
KCNH2 Q12809 3/20 0.51
MLNR O43193 1/20 0.51
ESR1 P03372 1/20 0.51
PTGS2 P35354 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL10136880 0.91 KDM1A (0.54) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10136839 0.88 KDM1A (0.52) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10168893 0.87 FPR2 (0.64) DRD2HRH1DRD3ADRA2AADRA2B
SCHEMBL10136857 0.84 KDM1A (0.61) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10136827 0.84 FPR2 (0.47) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10136856 0.84 DRD2 (0.56) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10136955 0.83 DRD2 (0.55) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL12715985 0.83 HRH1 (0.56) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10136819 0.82 KDM1A (0.60) KDM1ADRD2HRH1DRD3ADRA2A
SCHEMBL10136952 0.82 HTR1A (0.56) KDM1ADRD2HRH1DRD3ADRA2A

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-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same CORRIDOR PHARMACEUTICALS, INC. 2012-02-09 US disclosed
US-7923445-B2 10-{3-[4-(2-Amino)ethylpiperazinyl]propyl}2-trifluoromethylphenothiazine and analogues and derivatives; antiproliferative agents; serotonin receptor antagonists; apoptosis in activated lymphocytes, including T, B, and and mylenoma cells; asthma; antiarthritic agents; rheumatic diseeases IMMUNE CONTROL, INC. (US) 2011-04-12 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-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same NFATC1, BAX, BCL2 KDM1A 1810/4885DRD2 4807/4885HRH1 1212/4885

“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.