SCHEMBL21044614

SCHEMBL21044614

COCCNCCC(C)N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
ADRB2 P07550 1/20 0.33
ALDH1A1 P00352 4/20 0.32
PKM P14618 1/20 0.32
OPRM1 P35372 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL82952 1.00 L3MBTL1 (0.38) L3MBTL1KDM4ERECQLADRB2ALDH1A1
Hydrochloric Acid SCHEMBL81154 0.98 L3MBTL1 (0.41) L3MBTL1KDM4ERECQLADRB2ALDH1A1
SCHEMBL3695740 0.83 OPRM1 (0.41) RECQLALDH1A1OPRM1TDP1MEN1
SCHEMBL438704 0.81 L3MBTL1 (0.40) L3MBTL1KDM4ERECQLADRB2ALDH1A1
SCHEMBL13154507 0.80 L3MBTL1 (0.33) L3MBTL1KDM4ERECQLADRB2ALDH1A1
SCHEMBL12249026 0.80 OPRM1 (0.39) KDM4ERECQLALDH1A1OPRM1TDP1
SCHEMBL12248118 0.80 OPRM1 (0.39) KDM4ERECQLALDH1A1OPRM1TDP1
SCHEMBL18412661 0.79
SCHEMBL11119 0.77
SCHEMBL83119 0.75 ALDH1A1 (0.36) ALDH1A1OPRM1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2019-09-19 US disclosed
EP-3284520-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2019-06-05 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 (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-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NR4A2, NR4A3 L3MBTL1 487/4885KDM4E 720/4885RECQL 2099/4885

“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.