SCHEMBL12389331

SCHEMBL12389331

COc1cccc(C2=CCCc3ccc(C(=O)N=C(N)N)cc32)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 8/20 0.41
▸ HTR7 P34969 7/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ HTR5A P47898 1/20 0.38
▸ SLC9A1 P19634 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL2260956 0.87 HTR2B (0.49) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12389923 0.86 NOTUM (0.40) MAPTRAB9ASMN1; SMN2
SCHEMBL12389854 0.86 HTR5A (0.41) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12389886 0.85 HTR2B (0.43) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12389323 0.85 HTR5A (0.43) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12390311 0.85 MAPT (0.38) MAPTRAB9ASMN1; SMN2
SCHEMBL12389838 0.85 HTR5A (0.46) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12390377 0.84 HTR7 (0.39) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL2260276 0.84 DRD2 (0.37) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366709 0.82 HTR2B (0.46) HTR2BHTR7DRD2ADRA1DHTR2A

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 HTR2B 7/4885HTR7 13/4885DRD2 17/4885

“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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