SCHEMBL12366958

SCHEMBL12366958

N#Cc1ccc(C2=CCCCc3ccc(C(=O)N=C(N)N)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 5/20 0.40
▸ HTR7 P34969 4/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ SLC9A1 P19634 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ PLAU P00749 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL12366685 0.94 HTR2B (0.42) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366955 0.85 HTR2B (0.50) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12365282 0.84 RARA (0.50) RARARARBRARGSLC22A12MAP4K4
SCHEMBL12389259 0.82 HTR2B (0.42) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12365281 0.81 RARA (0.42) RARARARBRARGPLAUKDM1A
SCHEMBL12366974 0.80 CYP3A4 (0.39) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366856 0.80 HTR2B (0.42) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366723 0.80 HTR2B (0.45) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366729 0.79 HTR2B (0.41) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12366932 0.79 HTR2B (0.39) 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 3 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
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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