SCHEMBL31742886

SCHEMBL31742886

CNCCc1c[nH]c2c(O)ccc(O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.65
▸ HTR1A P08908 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ HTR2C P28335 6/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL25028193 0.89 HTR2A (0.60) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL30712090 0.88 HTR1A (0.66) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL31742941 0.82 HTR1A (0.62) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL29557008 0.79 HTR2A (1.00) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL12352630 0.79 HTR2A (0.64) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL31742959 0.79 HTR2A (0.68) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL12352648 0.79 HTR2A (1.00) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL31742617 0.77 HTR2C (0.60) HTR2AHTR1AHTR2CCYP2D6NPSR1
SCHEMBL31742910 0.77 HTR1A (0.53) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL31742638 0.77 HTR1A (0.53) HTR2AHTR1AKDM4EALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611417-B1 Compositions and methods to inhibit acid-catalyzed dephosphorylation of phosphoryloxytryptamines Convergent Health Sciences LLC: (US) 2026-04-28 — — US disclosed
US-12503713-B1 Stabilization of tryptamines by denaturing enzymes, optimizing ionization states, and controlling confounding variables Convergent Health Sciences LLC (US) 2025-12-23 — — US disclosed
US-12497637-B1 Stabilization of tryptamines by denaturing enzymes, optimizing ionization states, and controlling confounding variables Convergent Health Sciences LLC (US) 2025-12-16 — — 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-12611417-B1 Compositions and methods to inhibit acid-catalyzed dephosphorylation of phosphoryloxytryptamines PLCB1, PHKG1, PLCB3 HTR2A 105/4885HTR1A 91/4885KDM4E 2202/4885

“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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