SCHEMBL25819171

SCHEMBL25819171

Cc1ccc2c(ccn2CC(C)(C)N)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.58
HTR2A P28223 5/20 0.58
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
PRMT5 O14744 1/20 0.40
FABP4 P15090 2/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PLG P00747 2/20 0.36
PLAU P00749 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL17676466 0.86 HTR2C (0.57) HTR2CHTR2ACDK4CCND1PRMT5
SCHEMBL25687334 0.83 HTR2A (0.54) HTR2CHTR2ACDK4CCND1PRMT5
SCHEMBL27651088 0.83 PRKCI (0.51) HTR2CHTR2APLGPLAU
SCHEMBL24110213 0.81 HTR2C (0.60) HTR2CHTR2APRMT5FABP4ROCK1
SCHEMBL24109908 0.81 HTR2C (0.51) HTR2CHTR2ACDK4CCND1PRMT5
SCHEMBL13444442 0.78 HTR2C (0.64) HTR2CHTR2ACDK4CCND1PRMT5
SCHEMBL13157277 0.77 CDK4 (0.57) HTR2CHTR2ACDK4CCND1PLAU
SCHEMBL8959547 0.77 HTR2C (0.45) HTR2CHTR2ACDK4CCND1PRMT5
SCHEMBL27342171 0.77 HTR2C (0.45) HTR2CHTR2ACDK4CCND1PRMT5
SCHEMBL11084225 0.77 HTR2A (0.62) HTR2CHTR2ACDK4CCND1PRMT5

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 HTR2C 35/4885HTR2A 10/4885CDK4 2526/4885

“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.