SCHEMBL31494794

SCHEMBL31494794

C[C@H](Cn1ccc2cc(OCc3ccccc3F)ccc21)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.45
▸ HTR2C P28335 4/20 0.44
▸ PTPN1 P18031 2/20 0.41
▸ BCL2 P10415 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ PARP15 Q460N3 2/20 0.40
▸ PARP10 Q53GL7 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAOB P27338 5/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ CDC25B P30305 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
SCHEMBL25630192 1.00 PPARD (0.45) PPARDHTR2CPTPN1BCL2MCL1
SCHEMBL25630091 0.87 HTR2C (0.62) PPARDHTR2CPTPN1HTR2APARP15
SCHEMBL31494780 0.87 HTR2C (0.62) PPARDHTR2CPTPN1HTR2APARP15
SCHEMBL25421677 0.84 MEN1 (0.49) PPARDHTR2CNPC1RAB9A
SCHEMBL25421675 0.84 MEN1 (0.49) PPARDHTR2CNPC1RAB9A
SCHEMBL30488430 0.84 MEN1 (0.49) PPARDHTR2CNPC1RAB9A
SCHEMBL30488439 0.84 MEN1 (0.49) PPARDHTR2CNPC1RAB9A
SCHEMBL25421751 0.82 HTR2C (0.47) PPARDHTR2CBCL2MCL1HTR2A
SCHEMBL30488390 0.82 HTR2C (0.47) PPARDHTR2CBCL2MCL1HTR2A
SCHEMBL25421755 0.82 HTR2C (0.47) PPARDHTR2CBCL2MCL1HTR2A

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-20250051276-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-02-13 — — 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-20250051276-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF GRIN2A, GRIN2C, GAP43 PPARD 393/4885HTR2C 79/4885PTPN1 2001/4885

“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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