SCHEMBL25818517

SCHEMBL25818517

Cc1ccc2c(c1)CCN(CCN(C)C)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 3/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
GAA P10253 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PRMT5 O14744 1/20 0.40
USP2 O75604 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL25818816 0.87 DPP8 (0.38) MEN1KMT2AATMPOLBKDM4E
SCHEMBL23350458 0.84 DRD2 (0.43) DRD2DRD3SIGMAR1KDM4ELMNA
SCHEMBL13255041 0.83 DRD2 (0.54) MEN1KMT2AATMPOLBDRD2
SCHEMBL20883859 0.81 MEN1 (0.47) MEN1KMT2AATMPOLBDRD2
SCHEMBL17433351 0.81 MEN1 (0.47) MEN1KMT2AATMPOLBDRD2
SCHEMBL13499614 0.81 SIGMAR1 (0.59) MEN1KMT2AATMPOLBDRD2
SCHEMBL26715560 0.81 PNMT (0.50) MEN1KMT2AATMPOLBDRD2
SCHEMBL24110647 0.81 DRD1 (0.55) DRD2DRD3TDP1PRMT5
SCHEMBL30404333 0.81 DRD1 (0.55) DRD2DRD3TDP1PRMT5
SCHEMBL24478248 0.81 MOGAT2 (0.43) DRD2DRD3KDM4ELMNAALDH1A1

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 MEN1 3118/4885KMT2A 1200/4885ATM 2977/4885

“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.