SCHEMBL1673540

SCHEMBL1673540

O=Cc1ccccc1N1CCC(c2csc3cc(F)ccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.37
GRM2 Q14416 1/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.36
CTSS P25774 2/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR1B P47901 1/20 0.35
HTR1A P08908 2/20 0.34

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
SCHEMBL694609 0.76 AVPR2 (0.40) MAPTTP53THRBDRD2SLC6A4
Bromide SCHEMBL7864959 0.74 DRD2 (0.47) MAPTTP53THRBDRD2SLC6A4
SCHEMBL1673484 0.74 MEN1 (0.51)
SCHEMBL8917725 0.73 AVPR2 (0.39) MAPTTP53THRBDRD2SLC6A4
SCHEMBL23536314 0.71 GRM2 (0.43) MAPTGRM2
SCHEMBL7468044 0.70 SLC6A2 (0.44) MAPTSLC6A4LMNAHTR1A
Hydrochloric Acid SCHEMBL1673605 0.69 SLC6A2 (0.43) SLC6A4HTR1A
SCHEMBL23536162 0.69 GRM2 (0.45) GRM2
SCHEMBL1121724 0.69 CYP2A6 (0.56) MAPTTP53LMNA
SCHEMBL28614790 0.68 DHFR (0.48) DRD2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 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-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT MAPT 3/4885TP53 1026/4885THRB 2500/4885

“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.