SCHEMBL13011314

SCHEMBL13011314

O=C(O)c1ccc2c3ccccc3n(CCN3CCOCC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ NPY5R Q15761 1/20 0.49

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
SCHEMBL13011475 0.90 PTGER4 (0.58) PTGER4ALDH1A1HPGDCNR1CNR2
SCHEMBL13011305 0.86 CNR1 (0.58) ALDH1A1CNR1NPY5R
SCHEMBL13011809 0.84 CNR1 (0.48) PTGER4CNR1CNR2HTR7NPY5R
SCHEMBL18028054 0.82 TSHR (0.64) ALDH1A1CNR1CNR2HTTHTR7
SCHEMBL4728886 0.80 PTGER4 (0.67) PTGER4ALDH1A1HPGDCNR2HTT
SCHEMBL8803334 0.79 ALDH1A1 (0.62) ALDH1A1HPGDCNR2PARP1
SCHEMBL13635681 0.78 CNR2 (0.54) PTGER4CNR1CNR2HTR7
SCHEMBL10704403 0.77 ABCB1 (0.60) ALDH1A1CNR1CNR2
SCHEMBL13635125 0.76 PARP1 (0.61) ALDH1A1HPGDCNR2PARP1
SCHEMBL13011460 0.76 OPRK1 (0.55) PTGER4ALDH1A1CNR1CNR2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E PTGER4 1418/4885ALDH1A1 2104/4885HPGD 960/4885

“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.

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