SCHEMBL24110336

SCHEMBL24110336

COc1cc(F)cc2ccn(CC(C)(C)N(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.34
NTRK1 P04629 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
CNR1 P21554 1/20 0.32
BPTF Q12830 1/20 0.31
NR3C2 P08235 3/20 0.31
PGR P06401 2/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TNF P01375 1/20 0.30

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
SCHEMBL24109718 0.88 TNF (0.33) HTR2AHTR2CBPTFKDM4EMEN1
SCHEMBL24109707 0.86 KDM4E (0.38) HTR2AHTR2CBPTFKDM4EMEN1
SCHEMBL24109975 0.83 FABP4 (0.39) NR3C1HTR2AHTR2CKDM4EMEN1
SCHEMBL24110348 0.83 HTR2C (0.37) HTR2AHTR2C
SCHEMBL24109730 0.82 HTR2C (0.33) HTR2AHTR2C
SCHEMBL24110303 0.81 NR3C1 (0.32) NR3C1HTR2AHTR2C
SCHEMBL30404792 0.80 KDM4E (0.37) HTR2AHTR2CKDM4EMEN1MAPT
SCHEMBL24109714 0.80 KDM4E (0.37) HTR2AHTR2CKDM4EMEN1MAPT
SCHEMBL24110285 0.77 HTR2A (0.33) HTR2AHTR2CTNF
SCHEMBL24110335 0.76 HTR2C (0.40) NR3C1HTR2AHTR2CTNF

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 NR3C1 1240/4885NTRK1 523/4885HTR2A 10/4885

“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.