SCHEMBL25817984

SCHEMBL25817984

Cc1ccc2c(ccn2C2CC[C@@H]2N(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ROCK1 Q13464 1/20 0.33
SCN9A Q15858 1/20 0.33
FABP4 P15090 2/20 0.32
HSP90AA1 P07900 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
MAOB P27338 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
PRMT5 O14744 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
SCHEMBL25819158 1.00 TFPI2 (0.36) TFPI2HTR2AHTR2CMAPTRXFP1
SCHEMBL24110272 1.00 TFPI2 (0.36) TFPI2HTR2AHTR2CMAPTRXFP1
SCHEMBL24110302 0.88 SCD (0.37) HTR2AHTR2CSCN9AFABP4CYP1A2
SCHEMBL24109740 0.87 HTR2A (0.37) TFPI2HTR2AHTR2CMAPTRXFP1
SCHEMBL25820381 0.87 HTR2A (0.37) TFPI2HTR2AHTR2CMAPTRXFP1
SCHEMBL24110268 0.84 HTR2A (0.40) TFPI2HTR2AHTR2CSCN9AFABP4
SCHEMBL24109738 0.84 SCN9A (0.35) SCN9A
SCHEMBL24110041 0.82 HTR2C (0.41) TFPI2HTR2AHTR2CROCK1FABP4
SCHEMBL24109866 0.82 HTR2C (0.41) TFPI2HTR2AHTR2CROCK1FABP4
SCHEMBL24109857 0.82 HTR2C (0.41) TFPI2HTR2AHTR2CROCK1FABP4

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 3990/4885HTR2A 10/4885HTR2C 35/4885

“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.