SCHEMBL29358044

SCHEMBL29358044

CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
KRAS P01116 1/20 0.30

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
SCHEMBL153587 1.00 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL241113 0.95 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29359375 0.95 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL19458902 0.94 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL488363 0.94 TUBB4A (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL29673290 0.94 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
Fluoride Ion SCHEMBL542371 0.94 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL23088800 0.93 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL65292 0.93 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL3111652 0.93 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704098-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2024-01-24 EP disclosed
EP-4301744-A1 NICOTINAMIDE RIPK1 INHIBITORS AbbVie Inc. (US) 2024-01-10 EP disclosed
US-20230144871-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2023-05-11 US disclosed
WO-2023018643-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. (US) 2023-02-16 WO disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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-20230144871-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 FAAH 3626/4885MGLL 2627/4885TUBB4A 4246/4885

“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.