SCHEMBL25516869

SCHEMBL25516869

CCCCCCCC(CCCCCCC)N1CC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
FDPS P14324 4/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DNM1 Q05193 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL25516874 0.86 FDPS (0.34) OPRM1FDPSSPHK1LMNAMAPT
SCHEMBL20781969 0.85 OPRM1 (0.36) OPRM1FDPSSPHK1LMNAMAPT
SCHEMBL25748461 0.82 LMNA (0.38) FDPSSPHK1LMNAMAPTTSHR
SCHEMBL24486062 0.82 FDPS (0.36) OPRM1FDPSSPHK1LMNADNM1
SCHEMBL25516925 0.82 FDPS (0.36) OPRM1FDPSSPHK1LMNADNM1
SCHEMBL25518417 0.82 FDPS (0.36) OPRM1FDPSSPHK1LMNADNM1
SCHEMBL22458297 0.81 OPRM1 (0.38) OPRM1FDPSSPHK1LMNAMAPT
SCHEMBL22457670 0.81 OPRM1 (0.38) OPRM1FDPSSPHK1LMNAMAPT
SCHEMBL21160999 0.77 FDPS (0.37) OPRM1FDPSLMNADNM1
SCHEMBL21161001 0.77 FDPS (0.37) OPRM1FDPSLMNADNM1

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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230159543-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-05-25 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-20230159543-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS IL5, EPX, MPO OPRM1 4579/4885FDPS 67/4885SPHK1 1396/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 OPRM1 2907/4885FDPS 3457/4885SPHK1 721/4885

“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.