SCHEMBL25872172

SCHEMBL25872172

CC(C)OC(=O)CC1CN(C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MIF P14174 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL25872174 0.83 BRD4 (0.49) BRD4TSHRGAACYP3A4CYP2C9
SCHEMBL25872173 0.80 MGAM (0.39) BRD4LMNAALDH1A1TSHRGAA
SCHEMBL26030703 0.79 GPBAR1 (0.30)
SCHEMBL17190309 0.76 ALDH1A1 (0.32) CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL18526232 0.76 CYP1A2 (0.37) ALDH1A1TSHRCYP1A2
SCHEMBL19259372 0.75 L3MBTL1 (0.45) LMNAALDH1A1MIFNPSR1
SCHEMBL7569020 0.73 L3MBTL1 (0.47) LMNANPSR1
SCHEMBL27444169 0.73 CYP2D6 (0.41) BRD4CYP2D6LMNAALDH1A1MIF
SCHEMBL29080682 0.72 LMNA (0.36) CYP2D6LMNAALDH1A1MIFSMN1; SMN2
SCHEMBL29210828 0.72 SHBG (0.36) BRD4CYP2D6LMNAALDH1A1MIF

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 4 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-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
US-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO 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-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF EGLN3, EGLN2, EGLN1 BRD4 161/4885CYP2D6 3773/4885LMNA 4374/4885
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN3, EGLN2, EGLN1 BRD4 161/4885CYP2D6 3773/4885LMNA 4374/4885

“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.