SCHEMBL12390376

SCHEMBL12390376

CCOc1ccccc1C1=CCCc2ccc(C(=O)N=C(N)N)cc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.48
▸ HTR2B P41595 13/20 0.46
▸ HTR7 P34969 12/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ HTR5A P47898 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL2260956 0.89 HTR2B (0.49) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366817 0.85 HTR2B (0.50) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12389853 0.85 TTR (0.49) MRGPRX4
SCHEMBL12366700 0.84 SLC9A1 (0.47) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12390394 0.84 HTR2B (0.46) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12366807 0.84 HTR2B (0.46) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12389769 0.83 CREBBP (0.40) —
SCHEMBL12366654 0.83 HTR2B (0.52) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL12390267 0.82 PARP10 (0.41) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12389908 0.82 HTR2B (0.47) SLC9A1HTR2BHTR7DRD2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SLC9A1 1693/4885HTR2B 7/4885HTR7 13/4885

“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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