SCHEMBL697337

SCHEMBL697337

O=C(CCl)N[C@@H]1COc2ccccc2[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 2/20 0.47
ALDH1A1 P00352 1/20 0.44
GRM7 Q14831 3/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR2B P41595 2/20 0.39
PSMB5 P28074 1/20 0.39
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SSTR4 P31391 1/20 0.38
GLS O94925 1/20 0.37

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
SCHEMBL696877 1.00 LTB4R (0.47) LTB4RLTB4R2ALDH1A1GRM7HPGD
SCHEMBL696876 1.00 LTB4R (0.47) LTB4RLTB4R2ALDH1A1GRM7HPGD
SCHEMBL697338 1.00 LTB4R (0.47) LTB4RLTB4R2ALDH1A1GRM7HPGD
SCHEMBL20182824 0.84 LTB4R (0.56) LTB4RLTB4R2ALDH1A1GRM7HPGD
SCHEMBL20182869 0.80 AIMP2 (0.56) LTB4RLTB4R2ALDH1A1GRM7RAB9A
SCHEMBL25626141 0.80 LTB4R (0.40) LTB4RLTB4R2GRM7HTR2BPSMB5
SCHEMBL24614089 0.78 MTNR1A (0.46) GRM7MTNR1AMTNR1B
SCHEMBL20182827 0.77 GRM7 (0.40) LTB4RLTB4R2GRM7LMNASMN1; SMN2
SCHEMBL10697981 0.75 LTB4R (0.48) LTB4RLTB4R2GRM7HPGDHTR2B
SCHEMBL7288641 0.75 LTB4R (0.48) LTB4RLTB4R2GRM7HPGDHTR2B

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 5 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
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
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP 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 LTB4R 3004/4885LTB4R2 3199/4885ALDH1A1 3952/4885

“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.