SCHEMBL25818074

SCHEMBL25818074

CN[C@H](C)Cn1ccc2nc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.37
HTR2A P28223 11/20 0.37
SLC2A1 P11166 1/20 0.35
HPGD P15428 1/20 0.31
AGER Q15109 1/20 0.31
HTR2B P41595 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
CYP1A2 P05177 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
SCHEMBL25818055 0.81 HTR2C (0.56) HTR2CHTR2AHTR2BCYP1A2
SCHEMBL24110212 0.81 NTRK1 (0.39) HTR2CHTR2ASLC2A1HTR2B
SCHEMBL25295071 0.81 NTRK1 (0.39) HTR2CHTR2ASLC2A1HTR2B
SCHEMBL25818024 0.79 HTR2C (0.37) HTR2CHTR2ASLC2A1HPGDAGER
SCHEMBL17463068 0.75 CYP1A2 (0.36) HPGDLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL25818070 0.75 HTR2C (0.42) HTR2CHTR2AHPGDHTR2BCYP1A2
SCHEMBL16302770 0.72 EGFR (0.37) HPGDLMNATSHRHTTSMN1; SMN2
SCHEMBL24026926 0.71 CDK4 (0.53) HTR2CHTR2AHPGDAGERLMNA
SCHEMBL25818091 0.71 CDK4 (0.53) HTR2CHTR2AHPGDAGERLMNA
SCHEMBL25296623 0.70 HTR2C (0.45) HTR2CHTR2AHTR2B

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 10/4885SLC2A1 2925/4885

“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.