SCHEMBL24110506

SCHEMBL24110506

COc1ccc2c(ccn2CC2(N3CCOCC3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.46
▸ PRMT5 O14744 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL24109946 0.89 HTR2C (0.49) HTR2CPRMT5KDM4EMTNR1AMTNR1B
SCHEMBL24110516 0.88 HTR2C (0.48) HTR2CPRMT5KDM4EMTNR1AMTNR1B
SCHEMBL25817791 0.83 HTR2C (0.44) HTR2CPRMT5KDM4EMTNR1AMTNR1B
SCHEMBL23927917 0.78 HTR7 (0.58) HTR2CPRMT5KDM4ETSHRMTNR1A
SCHEMBL25821619 0.75 HTR2C (0.45) HTR2CPRMT5KDM4EMTNR1AMTNR1B
SCHEMBL24110508 0.75 HTR2C (0.45) HTR2CPRMT5KDM4EMTNR1AMTNR1B
SCHEMBL24110424 0.74 HTR2C (0.47) HTR2CPRMT5KDM4ETSHRCASP1
SCHEMBL24110297 0.74 HTR2C (0.52) HTR2CPRMT5KDM4EMTNR1AMTNR1B
SCHEMBL23956095 0.72 HTR7 (0.67) HTR2CPRMT5MTNR1AMTNR1BHTR7
SCHEMBL23956096 0.70 HTR7 (0.72) HTR2CPRMT5MTNR1AMTNR1BHTR7

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
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 — — WO 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 35/4885PRMT5 1869/4885KDM4E 2739/4885

“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.

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