SCHEMBL25825525

SCHEMBL25825525

COc1cc2ccn([C@H]3CC3N(C)C)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 6/20 0.39
SCN9A Q15858 1/20 0.37
KDM1A O60341 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
EED O75530 3/20 0.32
CYP19A1 P11511 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
P2RY2 P41231 1/20 0.30
TFPI2 P48307 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
SCHEMBL24110284 1.00 DRD5 (0.39) DRD5SCN9AKDM1AHTR2AHTR2C
SCHEMBL24110279 0.95 DRD5 (0.39) DRD5SCN9AKDM1AHTR2AHTR2C
SCHEMBL25825509 0.95 DRD5 (0.39) DRD5SCN9AKDM1AHTR2AHTR2C
SCHEMBL25825528 0.89 TFPI2 (0.37) SCN9ASLC6A2SLC6A4TFPI2
SCHEMBL24110199 0.89 TFPI2 (0.37) SCN9ASLC6A2SLC6A4TFPI2
SCHEMBL24110636 0.89 SCN9A (0.40) DRD5SCN9AKDM1AHTR2AHTR2C
SCHEMBL25820515 0.86 HTR2A (0.43) SCN9AHTR2AHTR2C
SCHEMBL24110263 0.86 HTR2A (0.43) SCN9AHTR2AHTR2C
SCHEMBL24110195 0.86 SLC6A2 (0.32) SCN9AEEDSLC6A2SLC6A4TFPI2
SCHEMBL25825529 0.86 SLC6A2 (0.32) SCN9AEEDSLC6A2SLC6A4TFPI2

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 DRD5 252/4885SCN9A 3315/4885KDM1A 2003/4885

“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.