SCHEMBL101506

SCHEMBL101506

[C-]#[N+]c1ccc([C@H]2CN([C@H](C)c3ccccc3)CCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
MC4R P32245 1/20 0.38
CCR5 P51681 1/20 0.37
MOGAT2 Q3SYC2 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
BRD4 O60885 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CNR2 P34972 2/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2602805 0.89 CYP2D6 (0.44) LTA4HCYP2D6MC4RCCR5OPRM1
SCHEMBL2294555 0.84 CHRM2 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL2290318 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL2291473 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL170144 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL2295242 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL2295583 0.84 CHRM2 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL2291288 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL83704 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3
SCHEMBL82176 0.84 CYP2D6 (0.45) LTA4HCYP2D6CHRM2HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 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 (4 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 LTA4H 3620/4885CYP2D6 25/4885CHRM2 292/4885
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 LTA4H 4350/4885CYP2D6 3712/4885CHRM2 3962/4885
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, TTBK2 LTA4H 4509/4885CYP2D6 2007/4885CHRM2 1279/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 LTA4H 4350/4885CYP2D6 3712/4885CHRM2 3962/4885

“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.