SCHEMBL18507067

SCHEMBL18507067

O=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HRH3 Q9Y5N1 6/20 0.52
CHRM4 P08173 1/20 0.52
EPHX2 P34913 1/20 0.51
SLC6A5 Q9Y345 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
DPP4 P27487 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL18507078 0.92 HRH3 (0.58) L3MBTL3L3MBTL1HRH3CHRM4SMN1; SMN2
SCHEMBL18507047 0.91 L3MBTL3 (0.66) L3MBTL3L3MBTL1HRH3CHRM4EPHX2
SCHEMBL18502043 0.90 L3MBTL1 (0.64) L3MBTL3L3MBTL1HRH3CHRM4ALDH1A1
SCHEMBL14430801 0.90 EPHX2 (0.61) L3MBTL3L3MBTL1HRH3CHRM4EPHX2
SCHEMBL18502027 0.89 L3MBTL3 (0.66) L3MBTL3L3MBTL1HRH3CHRM4
SCHEMBL18502044 0.88 L3MBTL3 (0.64) L3MBTL3L3MBTL1HRH3CHRM4MAPT
SCHEMBL18502089 0.88 L3MBTL3 (0.64) L3MBTL3L3MBTL1HRH3CHRM4ALDH1A1
SCHEMBL18502091 0.88 L3MBTL1 (0.64) L3MBTL3L3MBTL1HRH3CHRM4SMN1; SMN2
SCHEMBL18502042 0.88 L3MBTL3 (0.64) L3MBTL3L3MBTL1HRH3CHRM4GAA
SCHEMBL17194188 0.88 L3MBTL3 (0.67) L3MBTL3L3MBTL1HRH3CHRM4

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 L3MBTL3 842/4885L3MBTL1 992/4885HRH3 2108/4885

“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.