SCHEMBL22367441

SCHEMBL22367441

COC(=O)c1cccn1CCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
NR4A2 P43354 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL29225364 0.86 CNR1 (0.42) KDM4EALDH1A1CNR2HPGDNPC1
SCHEMBL9807560 0.84 CNR1 (0.47) KDM4EALDH1A1CNR2HPGDNPC1
SCHEMBL22367245 0.84 CNR2 (0.40) KDM4EALDH1A1CNR2NPC1MAPT
SCHEMBL2040857 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL24434780 0.83 KDM4E (0.42) KDM4EALDH1A1CNR2HPGDNPC1
SCHEMBL16467932 0.83 CNR2 (0.41) KDM4EALDH1A1CNR2NPC1MAPT
SCHEMBL2451961 0.83 CNR1 (0.46) KDM4EALDH1A1CNR2TLR8
SCHEMBL1422343 0.83 CNR2 (0.47) KDM4EALDH1A1CNR2NPC1MAPT
SCHEMBL11463498 0.82 NPC1 (0.46) KDM4EALDH1A1CNR2HPGDHSD17B10
SCHEMBL18322299 0.81 KDM4E (0.41) KDM4EALDH1A1CNR2HPGDNPC1

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-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-08-02 US disclosed
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 US disclosed
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 EP 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 (2 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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G KDM4E 2864/4885ALDH1A1 771/4885CNR2 185/4885
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 KDM4E 2858/4885ALDH1A1 713/4885CNR2 190/4885

“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.