SCHEMBL25801249

SCHEMBL25801249

C=C(C(C)C)N(C)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.34
LIPE Q05469 1/20 0.34
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH1B P00325 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL18880074 0.98 FAAH (0.45) FAAHPHGDHMGLLALDH1A1LIPE
SCHEMBL18896219 0.98 FAAH (0.39) FAAHPHGDHMGLLALDH1A1LIPE
SCHEMBL18896159 0.91 FAAH (0.31) FAAHPHGDHMGLL
SCHEMBL18880108 0.83
SCHEMBL13328213 0.81 SLC6A2 (0.35)
SCHEMBL13328216 0.79 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMAPT
SCHEMBL18880079 0.75
SCHEMBL24629348 0.74
SCHEMBL13328219 0.74 SLC6A4 (0.39) KCNH2
SCHEMBL12304280 0.73 ADH1C (0.42) FAAHPHGDHMGLLALDH1A1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-07-06 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 (2 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-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 FAAH 3586/4885PHGDH 4437/4885MGLL 4335/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT FAAH 2965/4885PHGDH 2043/4885MGLL 2609/4885

“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.