SCHEMBL18507034

SCHEMBL18507034

O=C(NCCCN1CCN(C(=O)c2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.58
KCNA5 P22460 2/20 0.56
MCHR2 Q969V1 1/20 0.56
MCHR1 Q99705 1/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
DRD2 P14416 3/20 0.54
HTR2A P28223 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
DRD3 P35462 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
SCHEMBL10723350 0.91 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EL3MBTL3L3MBTL1
SCHEMBL10721859 0.87 SIGMAR1 (0.65) ALDH1A1SMN1; SMN2KDM4EDRD2HTR2A
SCHEMBL14430677 0.86 CHRM4 (0.62) CHRM4MCHR2MCHR1ALDH1A1SMN1; SMN2
SCHEMBL10723851 0.86 SIGMAR1 (0.64) ALDH1A1SMN1; SMN2KDM4EDRD2HTR2A
SCHEMBL18507033 0.85 MCHR2 (0.75) CHRM4MCHR2MCHR1ALDH1A1SMN1; SMN2
SCHEMBL18507057 0.85 DRD3 (0.70) CHRM4DRD2HTR2ADRD3
SCHEMBL18502056 0.84 CHRM4 (0.63) CHRM4MCHR2MCHR1DRD2DRD3
SCHEMBL18507054 0.83 CHRM4 (0.57) CHRM4MCHR2MCHR1ALDH1A1SMN1; SMN2
SCHEMBL10722494 0.83 KMT2A (0.62) KCNA5ALDH1A1SMN1; SMN2LMNADRD2
SCHEMBL10720845 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2KDM4ELMNAGAA

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 4630/4885KCNA5 4792/4885MCHR2 4578/4885

“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.