SCHEMBL29639612

SCHEMBL29639612

CN(C)[P+](On1nnc2cccnc21)(N(C)C)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
MGLL Q99685 3/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
SLC9A1 P19634 1/20 0.32
KEAP1 Q14145 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL31494777 1.00 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL19713582 0.94 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29475403 0.94 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL757020 0.79 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL3737085 0.78 SLC9A1 (0.49) SLC9A1KEAP1RAB9ANPC1
Hydrochloric Acid SCHEMBL30591144 0.78 SLC9A1 (0.49) SLC9A1KEAP1RAB9ANPC1
SCHEMBL798141 0.77 FAAH (0.41) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL1984416 0.77 TUBB4A (0.38) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL13488484 0.76 FAAH (0.39) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29399678 0.76 SLC9A1 (0.50) SLC9A1KEAP1RAB9ANPC1

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-12306180-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2025-05-20 US disclosed
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 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 (3 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-11385225-B2 Tri-functional crosslinking reagents ADGRF1, FCGR3B, FCGR2A FAAH 3548/4885MGLL 2697/4885TUBB4A 2891/4885
US-20220373541-A1 Tri-functional Crosslinking Reagents ADGRF1, SIGLEC7, ADGRE5 FAAH 3182/4885MGLL 3244/4885TUBB4A 3082/4885
US-12306180-B2 Tri-functional crosslinking reagents ADGRF1, SIGLEC7, ADGRE5 FAAH 3182/4885MGLL 3244/4885TUBB4A 3082/4885

“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.