SCHEMBL25825528

SCHEMBL25825528

COc1cc2ccn([C@H]3CC3N(C)C)c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SCN9A Q15858 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
NR3C1 P04150 1/20 0.32
MAOA P21397 1/20 0.31
NQO2 P16083 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDGFRB P09619 2/20 0.30
PDGFRA P16234 2/20 0.30
TUBB1 Q9H4B7 1/20 0.30
CHRM4 P08173 1/20 0.30
ADRA2C P18825 1/20 0.30
HRH2 P25021 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
SCHEMBL24110199 1.00 TFPI2 (0.37) TFPI2SLC6A2SLC6A4SCN9ACA1
SCHEMBL25825529 0.91 SLC6A2 (0.32) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL24110195 0.91 SLC6A2 (0.32) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL24110204 0.91 SLC6A2 (0.32) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL25825509 0.89 DRD5 (0.39) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL25825525 0.89 DRD5 (0.39) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL24110284 0.89 DRD5 (0.39) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL24110279 0.89 DRD5 (0.39) TFPI2SLC6A2SLC6A4SCN9A
SCHEMBL24109727 0.87 TFPI2 (0.39) TFPI2SLC6A2SLC6A4SCN9AMAOA
SCHEMBL24109720 0.82 HTR2A (0.47) TFPI2SLC6A2SLC6A4

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 1 patent. 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

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 TFPI2 3990/4885SLC6A2 118/4885SLC6A4 99/4885

“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.