SCHEMBL6486887

SCHEMBL6486887

CC(C)c1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CCC3

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PIKFYVE Q9Y2I7 1/20 0.36
ADRA1D P25100 6/20 0.35
ADRA1A P35348 6/20 0.35
ADRA1B P35368 6/20 0.35
ADRA2A P08913 5/20 0.35
ADRA2C P18825 4/20 0.35
ADRA2B P18089 3/20 0.35
KDR P35968 1/20 0.34
NISCH Q9Y2I1 5/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
MAP3K14 Q99558 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL6491133 0.88 ADRA2C (0.42) MAPTKDM4EADRA1DADRA1AADRA1B
SCHEMBL6489663 0.86 MAP3K14 (0.41) MAPTKDM4EADRA1DADRA1AADRA1B
SCHEMBL6488223 0.86 MAPT (0.42) MAPTNPSR1HTR1DHTR1BKDM4E
SCHEMBL6496909 0.86 CDK5 (0.40) PIKFYVEADRA1DADRA1AADRA1BADRA2A
SCHEMBL6487105 0.85 HTR1D (0.38) MAPTNPSR1HTR1DHTR1BKDM4E
SCHEMBL6489941 0.81 NISCH (0.36) HTR1DHTR1BADRA1DADRA1AADRA1B
SCHEMBL6488762 0.80 ADRA2C (0.40) MAPTKDM4EADRA1DADRA1AADRA1B
SCHEMBL6486879 0.77 MAPT (0.38) MAPTNPSR1HTR1DHTR1BKDM4E
SCHEMBL6487319 0.73 ADRA2A (0.41) KDM4EADRA1DADRA1AADRA1BADRA2A
SCHEMBL6489545 0.70 KMT2A (0.40) MAPTNPSR1KDM4EADRA1DADRA1A

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-6951881-B2 (1-substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-10-04 US disclosed
US-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-18 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-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A MAPT 1293/4885NPSR1 36/4885HTR1D 16/4885

“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.