SCHEMBL6798775

SCHEMBL6798775

CNc1nc(N2CCOC(c3ccccc3)C2)nc(Nc2ccc(C)cc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NUDT1 P36639 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2D6 P10635 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6785059 0.82 HRH4 (0.43) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL3238454 0.77 CNR2 (0.50) CNR2LMNACYP1A2SMN1; SMN2CYP3A4
SCHEMBL3247766 0.77 GALR2 (0.50) CNR2LMNANAPEPLDMAPT
SCHEMBL6790023 0.76 MAPT (0.40) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6789606 0.73 CYBB (0.49) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6788466 0.73 HRH4 (0.44) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL3236690 0.72 ROCK2 (0.53) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6791293 0.71 MAPT (0.53) LMNACYP2C9MAPTNPSR1HTR2A
SCHEMBL6788991 0.70 TDP1 (0.44) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6789794 0.70 SCN9A (0.44) LMNACYP1A2SMN1; SMN2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 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-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 CNR2 113/4885LMNA 2170/4885CYP1A2 2605/4885

“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.