SCHEMBL6712401

SCHEMBL6712401

NCc1cccc(-c2ccc3c(c2)cc2n3CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.54
HTR2C P28335 6/20 0.54
CDK8 P49336 1/20 0.38
PRMT6 Q96LA8 1/20 0.36
CFD P00746 1/20 0.35
ABL1 P00519 1/20 0.34
NCF1 P14598 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
CHRM3 P20309 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
HTR1A P08908 2/20 0.33

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
SCHEMBL6714252 0.88 HTR2A (0.54) HTR2AHTR2CCDK8ABL1IKBKB
SCHEMBL6711842 0.85 HTR2A (0.51) HTR2AHTR2CCHRM3HTR1AHTR7
SCHEMBL7606263 0.85 HTR2A (0.51) HTR2AHTR2CCHRM3HTR7
SCHEMBL6714402 0.81 HTR2C (0.58) HTR2AHTR2CHTR1AHTR7
SCHEMBL6713978 0.80 HTR2A (0.71) HTR2AHTR2C
SCHEMBL6713786 0.80 HTR2A (0.56) HTR2AHTR2CIKBKBCHUKCHRM3
SCHEMBL6712393 0.79 HTR2A (0.55) HTR2AHTR2CCDK8CXCR4
SCHEMBL6713843 0.79 HTR2C (0.61) HTR2AHTR2CHTR1AHTR7
SCHEMBL6712296 0.79 HTR2A (0.54) HTR2AHTR2CCDK8ABL1IKBKB
SCHEMBL6712501 0.79 HTR2A (0.54) HTR2AHTR2CCDK8HTR1AHTR7

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-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 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-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885CDK8 860/4885

“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.