SCHEMBL18507053

SCHEMBL18507053

O=C(NCCCN1CCN(C2CCCCC2)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.59
HRH3 Q9Y5N1 5/20 0.58
L3MBTL3 Q96JM7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MCHR2 Q969V1 1/20 0.52
MCHR1 Q99705 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC2A1 P11166 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
SCHEMBL18502027 0.92 L3MBTL3 (0.66) CHRM4HRH3L3MBTL3L3MBTL1MCHR2
SCHEMBL17194188 0.91 L3MBTL3 (0.67) CHRM4HRH3L3MBTL3L3MBTL1MCHR2
SCHEMBL10727405 0.90 L3MBTL3 (0.61) HRH3L3MBTL3L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL18502049 0.89 L3MBTL3 (0.61) CHRM4HRH3L3MBTL3L3MBTL1SLC2A1
SCHEMBL18502077 0.88 L3MBTL3 (0.60) CHRM4HRH3L3MBTL3L3MBTL1SLC2A1
SCHEMBL18502073 0.88 L3MBTL3 (0.60) CHRM4HRH3L3MBTL3L3MBTL1SLC2A1
SCHEMBL17194307 0.87 CHRM4 (0.64) CHRM4SMN1; SMN2MCHR2MCHR1SLC6A2
SCHEMBL14430677 0.87 CHRM4 (0.62) CHRM4HRH3L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL18507054 0.86 CHRM4 (0.57) CHRM4L3MBTL3L3MBTL1SMN1; SMN2MCHR2
SCHEMBL18502053 0.86 KDM4E (0.61) CHRM4HRH3L3MBTL3L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131890-B1 COMPOUNDS FOR TREATING VIRAL INFECTIONS PASTEUR INSTITUT KOREA (KR) 2019-04-24 EP disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 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-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 CHRM4 4630/4885HRH3 2108/4885L3MBTL3 842/4885

“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.