SCHEMBL20562467

SCHEMBL20562467

COc1cc(F)c(F)cc1CCN

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.66
HTR2A P28223 9/20 0.61
HTR2C P28335 6/20 0.61
ADRA1A P35348 1/20 0.56
HTR2B P41595 4/20 0.56
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HTR1B P28222 1/20 0.54
HTR7 P34969 1/20 0.54
HTR6 P50406 1/20 0.54

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
SCHEMBL34463042 1.00 TAAR1 (0.66) TAAR1HTR2AHTR2CADRA1AHTR2B
SCHEMBL29473870 0.90 TAAR1 (0.69) TAAR1HTR2AHTR2CHTR2BHTR1A
SCHEMBL1047458 0.90 TAAR1 (0.69) TAAR1HTR2AHTR2CHTR2BHTR1A
Hydrochloric Acid SCHEMBL26096716 0.88 TAAR1 (0.67) TAAR1HTR2AHTR2CHTR2BHTR1A
SCHEMBL21240834 0.87 TAAR1 (0.83) TAAR1HTR2AHTR2CADRA1AHTR2B
SCHEMBL20969693 0.86 TAAR1 (0.53) TAAR1HTR2AHTR2CADRA1AHTR2B
SCHEMBL20767050 0.85 HTR2A (0.50) TAAR1HTR2AHTR2CHTR2B
SCHEMBL29673199 0.85 HTR2A (0.50) TAAR1HTR2AHTR2CHTR2B
SCHEMBL20562875 0.83 HTR2A (0.56) TAAR1HTR2AHTR2CHTR2B
SCHEMBL24163642 0.83 TAAR1 (0.72) TAAR1HTR2AHTR2CHTR2BHTR1A

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
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210994-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 TAAR1 395/4885HTR2A 234/4885HTR2C 227/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 TAAR1 375/4885HTR2A 225/4885HTR2C 240/4885

“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.