SCHEMBL3302471

SCHEMBL3302471

CCN1CCN(CCN2c3ccccc3Nc3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.63
CHRNA7 P36544 1/20 0.42
HTR1A P08908 2/20 0.41
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1B Q00975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL13393378 0.89 KDM1A (0.52) KDM1AHTR1ASMN1; SMN2
SCHEMBL13393376 0.89 KDM1A (0.52) KDM1AHTR1ADRD2SLC6A4ADRA1A
SCHEMBL13393373 0.89 KDM1A (0.52) KDM1AHTR1ACHRM2ADRA2ACHRM1
SCHEMBL3302413 0.89 KDM1A (0.62) KDM1AHTR1ACHRM2ADRA2ACHRM1
SCHEMBL13393419 0.81 KDM1A (0.63) KDM1ACHRNA7
SCHEMBL13393386 0.79 KDM1A (0.65) KDM1ACHRNA7HTR1ACHRM2CHRM1
SCHEMBL13393389 0.79 DRD2 (0.58) KDM1AHTR1ACHRM2ADRA2ACHRM1
SCHEMBL13393392 0.79 KDM1A (0.51) KDM1AHTR1ACHRM2ADRA2ACHRM1
SCHEMBL13393395 0.79 KDM1A (0.51) KDM1AHTR1ACHRM2ADRA2ACHRM1
SCHEMBL2287889 0.77 GAA (0.48) CACNA1BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099871-A1 ANTI-PSYCHOTIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MILLER DWIGHT W 2010-04-22 US disclosed
US-20100099871-A1 ANTI-PSYCHOTIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MILLER DWIGHT W 2010-04-22 US disclosed
US-20100099871-A1 ANTI-PSYCHOTIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MILLER DWIGHT W 2010-04-22 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-20100099871-A1 ANTI-PSYCHOTIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HTR2A, HTR2C, HTR5A KDM1A 3546/4885CHRNA7 177/4885HTR1A 4/4885

“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.