SCHEMBL5663448

SCHEMBL5663448

COc1ccc(OC)c(CCCN)c1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.80
TAAR1 Q96RJ0 1/20 0.80
AOC3 Q16853 1/20 0.61
IDO1 P14902 2/20 0.59
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
HTR2A P28223 1/20 0.56
HSD17B10 Q99714 1/20 0.51

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
Ammonia Solution, Strong SCHEMBL1780499 0.98 ADRA1A (0.77) ADRA1ATAAR1AOC3IDO1MTNR1A
SCHEMBL29491077 0.89 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL479514 0.89 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A
Hydrochloric Acid SCHEMBL25232952 0.87 TAAR1 (0.96) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL1081732 0.84 ADRA1A (0.66) ADRA1ATAAR1AOC3IDO1MTNR1A
SCHEMBL9889155 0.82 ADRA1A (0.64) ADRA1ATAAR1AOC3IDO1MTNR1A
SCHEMBL5833761 0.82 ADRA1A (0.64) ADRA1ATAAR1AOC3IDO1MTNR1A
SCHEMBL12524034 0.82 TAAR1 (0.54) ADRA1ATAAR1MTNR1B
SCHEMBL42578 0.81 ADRA1A (0.72) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL13939377 0.81 ADRA1A (0.54) ADRA1ATAAR1AOC3IDO1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
EP-1558238-A4 BETA-HYDROXYPHENYLALDYLAMINES AND THEIR USE FOR TREATING GLAUCOMA UNIV VIRGINIA COMMONWEALTH (US) 2006-08-30 EP disclosed
US-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma VIRGINIA COMMONWEALTH UNIVERSITY 2006-05-18 US disclosed
EP-1558238-A2 BETA-HYDROXYPHENYLALDYLAMINES AND THEIR USE FOR TREATING GLAUCOMA Virginia Commonwealth University (US) 2005-08-03 EP disclosed
WO-2004028451-A2 β-HYDROXYPHENYLALKYLAMINES AND THEIR USE FOR TREATING GLAUCOMA VIRGINIA COMMONWEALTH UNIVERSITY (US) 2004-04-08 WO disclosed
US-3992449-A 2-(γ-Aminopropyl)hydroquinones and process for producing the same FUJI PHOTO FILM CO., LTD. (JA) 1976-11-16 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-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA ADRA1A 960/4885TAAR1 1077/4885AOC3 3025/4885
US-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma PDE3A, QDPR, PDE2A ADRA1A 63/4885TAAR1 1532/4885AOC3 1064/4885

“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.