SCHEMBL3777754

SCHEMBL3777754

O=C1COc2ccc(CCN3CCNCC3)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.58
SLC6A4 P31645 13/20 0.58
HTR1D P28221 12/20 0.58
HTR1B P28222 12/20 0.58
DRD2 P14416 5/20 0.58
HTR2A P28223 4/20 0.58
PARP1 P09874 2/20 0.58
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
KCNH2 Q12809 1/20 0.56
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
NR3C2 P08235 1/20 0.53

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
SCHEMBL12346145 0.88 HTR1A (0.67) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL5217424 0.87 DRD4 (0.69) HTR1AHTR1DDRD2HTR2APARP1
Hydrochloric Acid SCHEMBL5217446 0.86 DRD4 (0.67) HTR1AHTR1DDRD2HTR2APARP1
SCHEMBL12348064 0.83 HTR1A (0.60) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL11002313 0.82 PARP1 (0.77) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL5658401 0.82 HTR1A (0.58) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL531878 0.81 HTR1A (0.65) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL532718 0.81 PARP1 (0.80) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL14510673 0.81 HTR1A (0.62) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL2302865 0.80 HTR1A (0.67) HTR1ASLC6A4HTR1DHTR1BDRD2

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
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B HTR1A 2919/4885SLC6A4 3191/4885HTR1D 3407/4885

“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.