SCHEMBL1803128

SCHEMBL1803128

FC(F)(F)Oc1cccc2c1OCC[C@@H]1CNC[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
HTR2C P28335 9/20 0.37
HTR2A P28223 8/20 0.37
HTR2B P41595 8/20 0.37
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL1803126 1.00 TRPV1 (0.42) TRPV1HTR2CHTR2AHTR2BP2RX7
SCHEMBL1803127 1.00 TRPV1 (0.42) TRPV1HTR2CHTR2AHTR2BP2RX7
SCHEMBL2598991 1.00 TRPV1 (0.42) TRPV1HTR2CHTR2AHTR2BP2RX7
SCHEMBL2599020 0.83 HTR1A (0.43) HTR2CHTR2AHTR2BHTR1A
SCHEMBL1805318 0.83 HTR1A (0.43) HTR2CHTR2AHTR2BHTR1A
SCHEMBL1805314 0.83 HTR1A (0.43) HTR2CHTR2AHTR2BHTR1A
SCHEMBL1805317 0.83 HTR1A (0.43) HTR2CHTR2AHTR2BHTR1A
SCHEMBL1803329 0.79 ADRA2A (0.47) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL2598888 0.79 ADRA2A (0.47) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL1803327 0.79 ADRA2A (0.47) HTR2CHTR2AHTR2BSLC6A2SLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C TRPV1 222/4885HTR2C 4/4885HTR2A 5/4885

“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.