SCHEMBL684071

SCHEMBL684071

Cn1cnc2c1c(=O)n(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c(=O)n2C

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.81
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
ADORA2B P29275 3/20 0.50
RXFP1 Q9HBX9 1/20 0.49
HTR1A P08908 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD2 P14416 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL683710 0.94 HTR2A (0.73) HTR2AKMT2AMEN1ADORA2BRXFP1
SCHEMBL2794439 0.87 HTR2A (0.74) HTR2AKMT2AMEN1ADORA2BRXFP1
SCHEMBL684023 0.84 HTR2A (0.58) HTR2AKMT2AADORA2B
SCHEMBL683711 0.83 HTR2A (0.58) HTR2AKMT2AADORA2BHTR1ACHRM1
SCHEMBL684364 0.82 HTR1A (0.66) HTR2AKMT2AMEN1ADORA2BRXFP1
SCHEMBL683671 0.81 HTR2A (0.54) HTR2AKMT2AADORA2BRXFP1POLB
SCHEMBL682838 0.80 HTR2A (0.57) HTR2AKMT2AADORA2B
SCHEMBL23974958 0.80 ADORA2B (0.60) HTR2AADORA2BRXFP1POLB
SCHEMBL684065 0.79 HTR2A (0.52) HTR2AKMT2AADORA2BRXFP1
SCHEMBL684062 0.79 HTR2A (0.52) HTR2AKMT2AADORA2B

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF HTR2A 1201/4885KMT2A 1893/4885MEN1 1910/4885

“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.