SCHEMBL4417014

SCHEMBL4417014

COc1cc2c(c(OC)c1)C(c1ccco1)N(C(=O)N1CCOCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.44
GRIN2C Q14957 3/20 0.43
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
AKR1C3 P42330 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM2 Q00987 1/20 0.39
PARP1 P09874 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4418766 0.86 MTNR1B (0.51) MTNR1BGRIN2CFKBP1AALDH1A1MAPT
SCHEMBL4416989 0.81 TRPV1 (0.46) MTNR1BGRIN2CFKBP1ATRPV1AKR1C3
SCHEMBL4423031 0.79 NPC1 (0.53) MTNR1BGRIN2CFKBP1AALDH1A1MAPT
SCHEMBL4421033 0.79 MTNR1B (0.41) MTNR1BGRIN2CTRPV1NPSR1L3MBTL1
SCHEMBL4421922 0.78 KMT2A (0.46) MTNR1BGRIN2CFKBP1AALDH1A1MAPT
SCHEMBL4418806 0.78 GRIN2C (0.49) MTNR1BGRIN2CFKBP1AALDH1A1MAPT
SCHEMBL4416800 0.77 SMN1; SMN2 (0.56) MTNR1BGRIN2CALDH1A1MAPTHPGD
SCHEMBL4418463 0.77 GRIN2C (0.53) MTNR1BGRIN2CFKBP1AALDH1A1MAPT
SCHEMBL4413414 0.76 HTT (0.43) MTNR1BGRIN2CFKBP1AALDH1A1MAPT
SCHEMBL4425647 0.76 GRIN2C (0.47) MTNR1BGRIN2CFKBP1AALDH1A1MAPT

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
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 MTNR1B 569/4885GRIN2C 567/4885FKBP1A 3805/4885

“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.