SCHEMBL26030107

SCHEMBL26030107

CC(C)N1CCN(C(=O)CC(C)(C)C)[C@@H](CO)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CYP2D6 P10635 1/20 0.34
DPP4 P27487 1/20 0.33
CXCR3 P49682 4/20 0.31
CCR2 P41597 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL25872053 0.80 POLB (0.34) KCNH2HRH3CYP2D6POLBL3MBTL1
SCHEMBL25540243 0.79 DPP4 (0.37) KCNH2HRH3CYP2D6DPP4POLB
SCHEMBL24448652 0.78 PIK3CD (0.37) KCNH2HRH3CYP2D6POLBL3MBTL1
SCHEMBL26546789 0.78 NR1H2 (0.41) HRH3
SCHEMBL25872056 0.78 NR1H2 (0.41) HRH3
SCHEMBL20314875 0.75 JAK3 (0.34) POLBL3MBTL1
SCHEMBL11890335 0.73 POLB (0.59) DPP4POLBL3MBTL1
SCHEMBL11890320 0.73 POLB (0.59) DPP4POLBL3MBTL1
SCHEMBL19888198 0.71 HTT (0.40) KCNH2HRH3CYP2D6
SCHEMBL24206781 0.71 HTT (0.40) KCNH2HRH3CYP2D6

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-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 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-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN3, EGLN2, EGLN1 KCNH2 4693/4885HRH3 195/4885CYP2D6 3773/4885

“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.