SCHEMBL20450109

SCHEMBL20450109

COc1cc(C(C)N)c(OC)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.56
TAAR1 Q96RJ0 3/20 0.56
HTR2C P28335 1/20 0.46
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46

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
SCHEMBL5846551 0.86 HTR2A (0.49) HTR2ATAAR1
SCHEMBL5917373 0.85 CYP2D6 (0.57) HTR2ATAAR1
SCHEMBL5917347 0.85 CYP2D6 (0.57) HTR2ATAAR1
SCHEMBL5917351 0.85 CYP2D6 (0.57) HTR2ATAAR1
SCHEMBL7530590 0.85 HTR2A (0.50) HTR2ATAAR1HTR2CP2RX3P2RX2
SCHEMBL5663639 0.85 CYP2D6 (0.57) HTR2ATAAR1
Hydrochloric Acid SCHEMBL5917339 0.84 MEN1 (0.58) HTR2ATAAR1
Hydrochloric Acid SCHEMBL5917346 0.84 MEN1 (0.58) HTR2ATAAR1
Hydrochloric Acid SCHEMBL5917341 0.84 MEN1 (0.58) HTR2ATAAR1
SCHEMBL13748156 0.83 P2RX3 (0.55) HTR2ATAAR1P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2950104-B1 IMMUNOASSAY FOR COMPOUNDS OF THE NBOME FAMILY RANDOX LABORATORIES LTD (GB) 2018-08-08 EP claimed
US-11759438-B2 Compositions and methods for treating ocular pathologies THE BOARD OF SUPERVISORS OF LOUISIANA STATE (US) 2023-09-19 US disclosed
US-20230277503-A1 COMPOSITIONS AND METHODS TO REDUCE PATHOGENESIS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-09-07 US disclosed
US-20200330405-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR PATHOLOGIES THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-10-22 US disclosed
US-20200078335-A1 COMPOSITIONS AND METHODS TO REDUCE PATHOGENESIS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2020-03-12 US disclosed
EP-3618850-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR PATHOLOGIES The Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2020-03-11 EP disclosed
CN-110662549-A Compositions and methods for treating ocular diseases 路易斯安娜州立大学监测委员会,农业和机械学院 2020-01-07 CN disclosed
WO-2018204359-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR PATHOLOGIES THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2018-11-08 WO disclosed
WO-2018204354-A1 COMPOSITIONS AND METHODS TO REDUCE PATHOGENESIS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2018-11-08 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 (4 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-20200330405-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR PATHOLOGIES HTR1A, KDR, HTR3A HTR2A 6/4885TAAR1 87/4885HTR2C 53/4885
US-20230277503-A1 COMPOSITIONS AND METHODS TO REDUCE PATHOGENESIS LTB4R2, LTB4R, CYSLTR1 HTR2A 7/4885TAAR1 436/4885HTR2C 49/4885
US-20200078335-A1 COMPOSITIONS AND METHODS TO REDUCE PATHOGENESIS LTB4R2, LTB4R, CYSLTR1 HTR2A 7/4885TAAR1 436/4885HTR2C 49/4885
US-11759438-B2 Compositions and methods for treating ocular pathologies HTR1A, KDR, HTR3A HTR2A 6/4885TAAR1 87/4885HTR2C 53/4885

“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.