SCHEMBL25373111

SCHEMBL25373111

COc1cc(CCN)cc(OC)c1SC(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 1.00
▸ HTR2C P28335 10/20 0.56
▸ HTR2B P41595 8/20 0.56
▸ KDM4E B2RXH2 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL20970902 0.79 HTR2A (0.65) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26056042 0.78 HTR2A (0.64) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26056124 0.77 HTR2A (0.62) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL27002138 0.76 HTR2A (0.61) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL20970855 0.76 HTR2A (0.61) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL27002059 0.75 HTR2A (0.59) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26055929 0.75 HTR2A (0.68) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26056043 0.74 HTR2A (0.59) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL20970884 0.73 HTR2A (0.58) HTR2AHTR2CHTR2BKDM4EATM
Hydrochloric Acid SCHEMBL25179886 0.73 HTR2A (0.60) HTR2AHTR2CHTR2BKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2025-05-08 — — US disclosed
WO-2023156453-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 — — 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 (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-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE PNMT, HTR7, HTR2C HTR2A 7/4885HTR2C 3/4885HTR2B 15/4885

“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.

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