SCHEMBL4494919

SCHEMBL4494919

CN1CCc2c(sc3ncn(CCN4CCN(c5nc6ccccc6[nH]5)CC4)c(=O)c23)C1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.71
ADRA1D P25100 20/20 0.71
HTR1B P28222 20/20 0.71
ADRA1A P35348 20/20 0.71
ADRA1B P35368 20/20 0.71
DRD2 P14416 2/20 0.69
HTR2A P28223 2/20 0.69
HTR7 P34969 2/20 0.69
DRD3 P35462 2/20 0.69
HTR2C P28335 1/20 0.69

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
SCHEMBL4511474 0.84 HTR1A (0.75) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720235 0.83 HTR1A (0.78) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6991351 0.83 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL4498500 0.83 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL4500989 0.82 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6990308 0.81 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6989359 0.81 HTR1A (0.75) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6997613 0.81 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993256 0.81 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL13934464 0.81 HTR1A (0.75) HTR1AADRA1DHTR1BADRA1AADRA1B

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
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US disclosed
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US disclosed
EP-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 EP disclosed
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 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-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 HTR1A 32/4885ADRA1D 61/4885HTR1B 47/4885

“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.