SCHEMBL3771402

SCHEMBL3771402

c1cc2c(cc1CCN1CCNCC1)OCCO2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.61
SLC6A4 P31645 5/20 0.56
KCNH2 Q12809 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CYP2D6 P10635 1/20 0.49
KCNJ1 P48048 1/20 0.48
HTR1A P08908 3/20 0.47
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 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
SCHEMBL3784351 0.91 SIGMAR1 (0.57) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL9398493 0.86 SIGMAR1 (0.61) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3143023 0.84 CYP2D6 (0.68) SIGMAR1CYP2D6
SCHEMBL20689718 0.79 ADRA1D (0.65) SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL11518881 0.79 CYP2D6 (0.60) SIGMAR1CYP2D6
SCHEMBL5774801 0.77 FAAH (0.57) KCNH2CYP2D6ADRA1DADRA1AADRA1B
SCHEMBL11699939 0.77 SIGMAR1 (0.60) SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL16695191 0.77 CYP2D6 (0.50) SIGMAR1SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL2600465 0.77 DPP7 (0.52) SIGMAR1SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL2291008 0.76 SIGMAR1 (1.00) SIGMAR1SLC6A4KCNH2SLC6A2SLC6A3

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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
CN-101341126-A Antibacterial active 5-chinolin derivative MORPHOCHEM AG FUER KOM (DE) 2009-01-07 CN 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 SIGMAR1 3099/4885SLC6A4 3191/4885KCNH2 3216/4885

“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.