SCHEMBL26797448

SCHEMBL26797448

CCCCCCC(C)C(N)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
SPHK1 Q9NYA1 2/20 0.50
CYP2D6 P10635 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
GMNN O75496 1/20 0.47
POLB P06746 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CETP P11597 1/20 0.47
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42

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
Tetradecane SCHEMBL28227311 1.00 OPRM1 (0.54) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL8604438 1.00 OPRM1 (0.54) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL9328565 1.00 OPRM1 (0.54) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL21660331 1.00 OPRM1 (0.54) OPRM1SPHK1CYP2D6TP53LMNA
Dodecane SCHEMBL28226541 1.00 OPRM1 (0.54) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL7554563 0.98 OPRM1 (0.56) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL15167780 0.93 OPRM1 (0.42) OPRM1SPHK1CYP2D6TP53LMNA
Dodecane SCHEMBL27989001 0.91 OPRM1 (0.48) OPRM1SPHK1CYP2D6TP53LMNA
Tetradecane SCHEMBL27989285 0.91 OPRM1 (0.48) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL2416094 0.90 OPRM1 (0.46) OPRM1SPHK1CYP2D6TP53LMNA

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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 OPRM1 2914/4885SPHK1 962/4885CYP2D6 1445/4885

“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.