SCHEMBL25818679

SCHEMBL25818679

CNc1ccc2c(ccn2C(=O)[C@@H](C(C)C)N(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
PPARG P37231 1/20 0.33
HTR2C P28335 3/20 0.33
NAMPT P43490 1/20 0.33
GRM4 Q14833 1/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR2B P41595 2/20 0.32
RECQL P46063 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL24110342 0.82 TFPI2 (0.42) PPARGHTR2CGRM4KDM4ENOTUM
SCHEMBL24110358 0.82 TFPI2 (0.42) PPARGHTR2CGRM4KDM4ENOTUM
SCHEMBL24110373 0.82 TFPI2 (0.42) PPARGHTR2CGRM4KDM4ENOTUM
SCHEMBL24109789 0.80 TUBB1 (0.51) HTR2CCYP1A2MAPTKDM4EHTR6
SCHEMBL24109947 0.80 TUBB1 (0.51) HTR2CCYP1A2MAPTKDM4EHTR6
SCHEMBL5107882 0.75 S1PR1 (0.38) MAOBMAOAHTR2CNAMPTGRM4
SCHEMBL29472292 0.69 PIK3CD (0.44) MAOBMAOANAMPTGRM4NOTUM
SCHEMBL6017417 0.69 TP53 (0.37) HTR2CTP53KMT2A
SCHEMBL24109788 0.68 HTR2A (0.43) PPARGHTR2CGRM4KDM4ENOTUM
SCHEMBL24110329 0.68 HTR2A (0.43) PPARGHTR2CGRM4KDM4ENOTUM

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 2 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

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 MAOB 101/4885MAOA 90/4885PPARG 440/4885

“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.