SCHEMBL12389901

SCHEMBL12389901

COc1ccc(C2=CCCc3ccc(C(=O)N=C(N)N)cc32)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 10/20 0.47
▸ ADRA1D P25100 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC9A2 Q9UBY0 1/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ CYP3A4 P08684 5/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP2D6 P10635 2/20 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
SCHEMBL12366773 0.87 HTR7 (0.41) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12389307 0.86 PLAU (0.46) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12366828 0.86 HTR7 (0.42) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12390230 0.86 SLC9A1 (0.43) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12388304 0.86 EPHX2 (0.42) EPHX2
SCHEMBL12366899 0.85 SLC9A1 (0.40) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12389088 0.85 EPHX2 (0.44) EPHX2
SCHEMBL12390373 0.84 HTR2B (0.49) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12366747 0.83 HTR7 (0.39) SLC9A1ADRA1DHTR2AHTR7HTR2B
SCHEMBL12390128 0.83 HTR7 (0.42) SLC9A1ADRA1DHTR2AHTR7HTR2B

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 1693/4885ADRA1D 74/4885HTR2A 2/4885

“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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