SCHEMBL12366773

SCHEMBL12366773

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.41
▸ HTR2B P41595 5/20 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
▸ SLC9A1 P19634 3/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ PLAU P00749 1/20 0.37
▸ MPO P05164 1/20 0.36
▸ HTR5A P47898 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL12366899 0.92 SLC9A1 (0.40) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL2259945 0.89 HTR2B (0.40) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12389307 0.89 PLAU (0.46) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12366828 0.89 HTR7 (0.42) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12389901 0.87 SLC9A1 (0.47) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12366754 0.86 HTR7 (0.44) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12366795 0.86 HTR5A (0.47) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12366747 0.85 HTR7 (0.39) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12390128 0.85 HTR7 (0.42) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL12365375 0.85 KDM4E (0.45) MPOMAPTKMT2A

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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US 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 HTR7 13/4885HTR2B 7/4885DRD2 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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