SCHEMBL25817962

SCHEMBL25817962

COc1ccc2c(ccn2C2CC(N3CC4(COC4)C3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.39
▸ TFPI2 P48307 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM2B Q8NHM5 5/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32

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
SCHEMBL25817629 0.86 HTR2C (0.36) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL25817881 0.84 TFPI2 (0.38) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL24110403 0.83 HTR2C (0.44) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL24110507 0.82 KDM4E (0.41) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL24110522 0.82 HTR2C (0.43) HTR2CPOLBHTR6L3MBTL1KDM2B
SCHEMBL24110524 0.76 HTR2C (0.39) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL17602083 0.76 KDM4C (0.47) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL24110590 0.74 HTR2C (0.42) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL30404185 0.74 HTR2C (0.42) HTR2CTFPI2POLBHTR6L3MBTL1
SCHEMBL24110627 0.74 HTR2C (0.42) HTR2CTFPI2POLBHTR6L3MBTL1

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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 — — US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 — — 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 (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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT HTR2C 35/4885TFPI2 3990/4885POLB 3310/4885

“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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