SCHEMBL25173275

SCHEMBL25173275

COc1cccc(CN(C)C(=O)Cc2c[nH]c3ccc(OC)cc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ ACHE P22303 4/20 0.59
▸ HTR6 P50406 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MTNR1A P48039 5/20 0.52
▸ MTNR1B P49286 4/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ GPR84 Q9NQS5 1/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 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
SCHEMBL30393323 1.00 KDM4E (0.60) KDM4EACHEHTR6KMT2AMTNR1A
SCHEMBL24723324 0.92 KDM4E (0.65) KDM4EACHEHTR6KMT2AMTNR1A
SCHEMBL29992041 0.82 KDM4E (0.73) KDM4EHTR6KMT2AMTNR1AMTNR1B
SCHEMBL29993218 0.82 KDM4E (0.73) KDM4EHTR6KMT2AMTNR1AMTNR1B
SCHEMBL24496999 0.82 KDM4E (0.73) KDM4EHTR6KMT2AMTNR1AMTNR1B
SCHEMBL24723375 0.82 KDM4E (0.66) KDM4EACHEHTR6KMT2AMTNR1A
SCHEMBL25491588 0.81 ICMT (0.52) HTR6KMT2AMTNR1AMTNR1BHTR1A
SCHEMBL25169836 0.81 CDK4 (0.61) KMT2ANPSR1MEN1ALDH1A1RAB9A
SCHEMBL25172585 0.79 HTR6 (0.85) ACHEHTR6KMT2AMTNR1AMTNR1B
SCHEMBL30370317 0.79 HTR6 (0.85) ACHEHTR6KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138947-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC (US) 2026-05-21 — — US disclosed
US-20260042735-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC (US) 2026-02-12 — — US disclosed
US-20240400510-A1 NOVEL BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC (US) 2024-12-05 — — US disclosed
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC. 2023-05-11 — — US disclosed
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC. 2023-05-11 — — US disclosed
WO-2023070228-A1 NOVEL BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE CANADA INC. (CA) 2023-05-04 — — WO disclosed
WO-2023070228-A1 NOVEL BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE CANADA INC. (CA) 2023-05-04 — — 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-20240400510-A1 NOVEL BENZYLTRYPTAMINE COMPOUNDS HTR2C, HTR2A, HTR3B KDM4E 2887/4885ACHE 1561/4885HTR6 18/4885
US-20260042735-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, HTR2A, HTR6 KDM4E 1324/4885ACHE 1499/4885HTR6 3/4885
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, HTR2A, HTR3B KDM4E 3079/4885ACHE 1410/4885HTR6 17/4885
US-20260138947-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, CNR2, HTR3B KDM4E 1924/4885ACHE 2072/4885HTR6 8/4885

“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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