SCHEMBL696007

SCHEMBL696007

O=C(CCl)N[C@@H]1CCc2ccccc2[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
TSHR P16473 2/20 0.43
BLM P54132 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
HTT P42858 3/20 0.42
XBP1 P17861 1/20 0.42
EPHX2 P34913 2/20 0.41
HPGD P15428 1/20 0.40
DHODH Q02127 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 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
SCHEMBL7279700 1.00 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BTSHRBLM
SCHEMBL696008 1.00 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BTSHRBLM
SCHEMBL697601 1.00 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BTSHRBLM
SCHEMBL697600 1.00 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BTSHRBLM
SCHEMBL9854677 0.82 ALDH1A1 (0.56) ALDH1A1MTNR1AMTNR1BHTTXBP1
SCHEMBL30685627 0.82 HTT (0.46) ALDH1A1TSHRBLMTAS1R3TAS1R1
SCHEMBL30685626 0.82 HTT (0.46) ALDH1A1TSHRBLMTAS1R3TAS1R1
SCHEMBL12256771 0.81 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BHTTDHODH
SCHEMBL4858887 0.81 ALDH1A1 (0.83) ALDH1A1MTNR1AMTNR1BTSHRTAS1R3
SCHEMBL7270673 0.81 MTNR1A (0.53) ALDH1A1MTNR1AMTNR1BTSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 ALDH1A1 3952/4885MTNR1A 425/4885MTNR1B 566/4885

“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.