SCHEMBL1994726

SCHEMBL1994726

FC(F)C1CC1c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
SLC6A3 Q01959 7/20 0.44
SLC9A1 P19634 1/20 0.43
SLC6A2 P23975 4/20 0.41
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL23993596 0.82 HTR2A (0.51) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL1993581 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL1990780 0.77 MAOB (0.48) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL8333598 0.73 SLC9A1 (0.52) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL5521413 0.73 HTR2C (0.62) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL12875538 0.73 HTR2A (0.58) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL7090511 0.73 HTR2C (0.62) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL31172459 0.73 HTR2A (0.58) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL15542074 0.73 HTR2C (0.62) HTR2AHTR2CHTR2BSLC6A3SLC9A1
SCHEMBL7654609 0.73 HTR2C (0.62) HTR2AHTR2CHTR2BSLC6A3SLC9A1

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.