SCHEMBL24110246

SCHEMBL24110246

COc1cc2c(ccn2CC(C)(C)N(C)C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.45
HTR2A P28223 7/20 0.45
NR3C1 P04150 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2B P41595 1/20 0.36
CYP19A1 P11511 2/20 0.34
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 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
SCHEMBL24110286 0.95 HTR2C (0.45) HTR2CHTR2ANR3C1CYP1A2CYP3A4
SCHEMBL24110335 0.89 HTR2C (0.40) HTR2CHTR2ANR3C1TUBB4ATUBB
SCHEMBL24110261 0.86 HTR2C (0.59) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL24110368 0.85 HTR2C (0.37) HTR2CHTR2ANR3C1TUBB4ATUBB
SCHEMBL24110359 0.83 HTR2C (0.37) HTR2CHTR2ANR3C1TUBB4ATUBB
SCHEMBL24110247 0.82 HTR2C (0.48) HTR2CHTR2ANR3C1CYP1A2CYP3A4
SCHEMBL24110357 0.80 HTR2C (0.48) HTR2CHTR2ANR3C1CYP1A2CYP3A4
SCHEMBL24109924 0.78 HTR2C (0.54) HTR2CHTR2AMTNR1AMTNR1B
SCHEMBL29904400 0.78 HTR2C (0.54) HTR2CHTR2AMTNR1AMTNR1B
SCHEMBL24110336 0.77 NR3C1 (0.34) HTR2CHTR2ANR3C1PGRNR3C2

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 3 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
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT HTR2C 35/4885HTR2A 10/4885NR3C1 1240/4885

“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.