SCHEMBL26399751

SCHEMBL26399751

O=C(CCC(=O)NCC1CCCCCCC1)NCCc1cnc[nH]1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 1/20 0.60
HRH3 Q9Y5N1 3/20 0.54
HRH4 Q9H3N8 2/20 0.54
QPCT Q16769 1/20 0.52
QPCTL Q9NXS2 1/20 0.52

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
SCHEMBL26399531 1.00 EPHX1 (0.61) EPHX1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL17481128 0.84 CYP3A4 (0.82) EPHX1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL14415981 0.82 HRH3 (0.64) EPHX1HRH3HRH4
SCHEMBL18381205 0.79 CYP3A4 (0.74) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17481134 0.79 CYP3A4 (0.78) EPHX1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL17483163 0.79 CYP3A4 (0.78) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL19051464 0.78 EPHX1 (0.68) EPHX1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL25670592 0.78 CYP3A4 (0.72) EPHX1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL29419585 0.77 CYP3A4 (0.76) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17481127 0.77 CYP3A4 (0.74) EPHX1CYP3A4CYP2D6TSHRCYP2C19

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-20230312630-A1 PHOSPHORAMIDITE SYNTHESIS ON-DEMAND AARHUS UNIVERSITET (DK) 2023-10-05 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-20230312630-A1 PHOSPHORAMIDITE SYNTHESIS ON-DEMAND RNGTT, PPA1, PNP EPHX1 659/4885CYP3A4 3930/4885CYP2D6 4170/4885

“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.