SCHEMBL4416149

SCHEMBL4416149

COc1cc2c(c(OC)c1)C(C)N(C(=O)c1cc(F)c(OC)c(F)c1F)CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.45
GRIN2C Q14957 3/20 0.43
PARP1 P09874 1/20 0.41
CPS1 P31327 2/20 0.40
FKBP1A P62942 4/20 0.39
DRD1 P21728 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL4418261 0.79 MTNR1B (0.41) MTNR1BGRIN2CFKBP1AKMT2ATP53
SCHEMBL4414665 0.77 GRIN2C (0.64) MTNR1BGRIN2CFKBP1AKMT2ATP53
SCHEMBL4416142 0.73 GRIN2C (0.55) MTNR1BGRIN2CKMT2ATP53MEN1
SCHEMBL4424375 0.69 HTT (0.71) MTNR1BGRIN2CSMN1; SMN2KMT2ARXFP1
SCHEMBL4416128 0.67 TRPV1 (0.46) MTNR1BGRIN2CCPS1FKBP1AKMT2A
SCHEMBL13809019 0.67 GRIN2C (0.44) MTNR1BGRIN2CFKBP1AKMT2ATP53
SCHEMBL13809245 0.66 RXFP1 (0.45) MTNR1BGRIN2CKMT2ATP53RXFP1
SCHEMBL4421922 0.66 KMT2A (0.46) MTNR1BGRIN2CCPS1FKBP1ASMN1; SMN2
SCHEMBL4413383 0.66 KMT2A (0.47) MTNR1BGRIN2CDRD1KMT2ATP53
SCHEMBL4418814 0.65 MTNR1B (0.48) MTNR1BGRIN2CPARP1FKBP1ADRD1

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 567/4885PARP1 4676/4885

“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.