SCHEMBL13011809

SCHEMBL13011809

NC(N)=NC(=O)c1ccc2c3ccccc3n(CCN3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ ATM Q13315 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ PTGER4 P35408 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ NPY5R Q15761 1/20 0.45

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
SCHEMBL13011761 0.91 CNR2 (0.50) CNR1CNR2HTR2BPTGER4HTR7
SCHEMBL13011314 0.84 PTGER4 (0.59) CNR1CNR2PTGER4HTR7NPY5R
SCHEMBL2482662 0.83 HTR2B (0.49) ATMHTR2BHTR7
SCHEMBL13011760 0.83 HTR2B (0.49) HTR2BHTR7
SCHEMBL13011755 0.82 HPGD (0.57) CNR1CNR2HTR2BHTR7
SCHEMBL13011305 0.80 CNR1 (0.58) CNR1ATMNPY5R
SCHEMBL13011754 0.80 NPC1 (0.55) CNR1CNR2
SCHEMBL13061931 0.79 CNR2 (0.46) CNR2HTR2BPTGER4HTR7
SCHEMBL13011633 0.78 CNR2 (0.50) CNR1CNR2HTR2BPTGER4HTR7
SCHEMBL3767125 0.77 CYP19A1 (0.53) CNR1CNR2HTR2BHTR7

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 CNR1 776/4885ATM 3637/4885CNR2 681/4885

“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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