SCHEMBL12390239

SCHEMBL12390239

COc1cc(Cl)ccc1C1=CCCc2ccc(C(=O)N=C(N)N)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 4/20 0.44
▸ SLC9A1 P19634 9/20 0.43
▸ HTR7 P34969 3/20 0.42
▸ 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
▸ MAPT P10636 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 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
SCHEMBL12389307 0.89 PLAU (0.46) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12389848 0.88 SLC9A1 (0.43) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12366862 0.86 HTR2B (0.46) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL2260956 0.86 HTR2B (0.49) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12366741 0.86 HTR2B (0.48) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12390377 0.85 HTR7 (0.39) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12389091 0.85 SRD5A1 (0.48) —
SCHEMBL12390191 0.84 HTR5A (0.41) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12366744 0.84 HTR2B (0.46) HTR2BSLC9A1HTR7DRD2ADRA1D
SCHEMBL12366883 0.84 HTR2B (0.44) HTR2BSLC9A1HTR7DRD2ADRA1D

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 7/4885SLC9A1 1693/4885HTR7 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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