SCHEMBL1993581

SCHEMBL1993581

FC(F)C1CC1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 11/20 0.43
MDM2 Q00987 1/20 0.41
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39

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
SCHEMBL23995488 0.79 MDM2 (0.49) HTR2AHTR2CHTR2BSLC6A3MDM2
SCHEMBL25004705 0.79 MDM2 (0.49) HTR2AHTR2CHTR2BSLC6A3MDM2
SCHEMBL1990780 0.78 MAOB (0.48) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL1994726 0.77 HTR2A (0.51) HTR2AHTR2CHTR2BSLC6A3MDM2
SCHEMBL7509170 0.69 KDM1A (0.60) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL6586419 0.69 HTR2A (0.50) HTR2AHTR2CHTR2BSLC6A3MDM2
SCHEMBL6991920 0.69 KDM1A (0.60) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL6991918 0.69 KDM1A (0.60) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL2837243 0.69 KDM1A (0.60) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL7509163 0.69 KDM1A (0.60) HTR2AHTR2CHTR2BSLC6A3SLC6A2

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-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (2 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS HTR2A 3519/4885HTR2C 3110/4885HTR2B 2360/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS HTR2A 2276/4885HTR2C 1693/4885HTR2B 1403/4885

“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.