SCHEMBL3779625

SCHEMBL3779625

COc1cnc2cccc(C(O)CN3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.55
HTR1D P28221 16/20 0.55
HTR1B P28222 16/20 0.55
SLC6A4 P31645 12/20 0.55
DRD2 P14416 3/20 0.52
HTR2A P28223 2/20 0.52
KCNH2 Q12809 2/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
DRD4 P21917 1/20 0.46

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
SCHEMBL3777163 0.89 HTR1A (0.42) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL6111878 0.86 KCNH2 (0.59) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL3774520 0.86 KCNH2 (0.59) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL3779177 0.85 KCNH2 (0.42) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL3780005 0.84 KCNH2 (0.56) HTR1ASLC6A4KCNH2
SCHEMBL3779227 0.84 KCNH2 (0.51) HTR1ASLC6A4KCNH2
SCHEMBL5433187 0.82 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL3782147 0.82 KCNH2 (0.59) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL3774422 0.82 KCNH2 (0.48) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL3781197 0.82 KCNH2 (0.47) HTR1AHTR1DHTR1BSLC6A4DRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B HTR1A 2919/4885HTR1D 3407/4885HTR1B 2931/4885

“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.