SCHEMBL8514307

SCHEMBL8514307

CN(C)CCC(O)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
AOC3 Q16853 4/20 0.35
RIPK1 Q13546 1/20 0.35
CHRM2 P08172 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
LMNA P02545 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
SCHEMBL1534311 0.80 HTR2A (0.67) HTR2AHRH1AOC3RIPK1CHRM2
SCHEMBL1534201 0.80 HTR2A (0.67) HTR2AHRH1AOC3RIPK1CHRM2
SCHEMBL1534343 0.80 HTR2A (0.67) HTR2AHRH1AOC3RIPK1CHRM2
SCHEMBL5463519 0.78 UTS2R (0.46) HTR2AHRH1
Hydrochloric Acid SCHEMBL4377637 0.78 HTR2A (0.64) HTR2AHRH1AOC3RIPK1CHRM2
SCHEMBL317303 0.78 LMNA (0.40) HTR2AAOC3RIPK1CHRM2SLC6A4
SCHEMBL22399245 0.78 LMNA (0.40) HTR2AAOC3RIPK1CHRM2SLC6A4
SCHEMBL6829520 0.77 AOC3 (0.58) HTR2AHRH1AOC3SLC6A2SLC6A4
SCHEMBL188905 0.77 HTR2A (0.42) HTR2AHRH1AOC3RIPK1
SCHEMBL4733883 0.77 CHRM2 (0.49) HTR2AHRH1CHRM2SLC6A2SLC6A4

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-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK HTR2A 4687/4885HRH1 2283/4885AOC3 29/4885

“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.