SCHEMBL26554013

SCHEMBL26554013

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC18A2 Q05940 7/20 0.42
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ HIF1A Q16665 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ STAT6 P42226 2/20 0.39
▸ EPAS1 Q99814 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL26554051 0.84 SLC18A2 (0.35) HTR1AOPRM1KCNH2TBXA2RPTGS1
SCHEMBL19075836 0.82 MEN1 (0.50) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL19075837 0.82 MEN1 (0.49) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL14135535 0.80 MEN1 (0.53) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL15744675 0.79 CYP3A4 (0.54) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL14135452 0.78 SLC18A2 (0.54) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL15744729 0.77 MEN1 (0.44) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL26404165 0.77 SLC18A2 (0.33) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL15744736 0.75 SLC18A2 (0.51) HTR1AOPRM1KCNH2SLC18A2MEN1
SCHEMBL15744728 0.74 MEN1 (0.41) HTR1AOPRM1KCNH2SLC18A2MEN1

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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-10-19 — — 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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R HTR1A 2391/4885OPRM1 953/4885KCNH2 3775/4885

“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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