SCHEMBL31742770

SCHEMBL31742770

CNCCc1c[nH]c2c(-c3cc(O)c(O)c4c(CCN(C)C)c[nH]c34)ccc(O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.57
▸ HTR2A P28223 9/20 0.47
▸ HTR2C P28335 7/20 0.47
▸ HTR2B P41595 5/20 0.47
▸ HTR6 P50406 2/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR1E P28566 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR5A P47898 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL31742725 1.00 HTR1A (0.57) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742956 0.94 HTR1A (0.54) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742888 0.94 HTR1A (0.54) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742910 0.93 HTR1A (0.53) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742638 0.93 HTR1A (0.53) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742941 0.92 HTR1A (0.62) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742741 0.92 HTR1A (0.66) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742836 0.89 HTR2A (0.48) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742890 0.89 HTR2A (0.48) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL31742894 0.87 HTR1A (0.54) HTR1AHTR2AHTR2CHTR2BHTR6

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 HTR1A 91/4885HTR2A 105/4885HTR2C 39/4885

“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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