SCHEMBL25872174

SCHEMBL25872174

COC(=O)CC1CN(C(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NR1H2 P55055 1/20 0.32
SSTR4 P31391 1/20 0.31

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
SCHEMBL10232844 0.86 BRD4 (0.44) BRD4MAPTLTA4H
SCHEMBL25872172 0.83 BRD4 (0.37) BRD4CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL25872173 0.81 MGAM (0.39) BRD4MAPTTSHRKMT2AGAA
SCHEMBL10232806 0.81 BRD4 (0.42) BRD4MAPTLTA4H
SCHEMBL26465285 0.78 BRD4 (0.58) BRD4HSD17B10TSHRMEN1KMT2A
SCHEMBL18526232 0.78 CYP1A2 (0.37) MAPTTSHRMEN1KMT2A
SCHEMBL17190309 0.78 ALDH1A1 (0.32)
SCHEMBL26890000 0.76 BRD4 (0.39) BRD4MAPTLTA4H
SCHEMBL9683068 0.76 KMT2A (0.46) BRD4MAPTKMT2ALTA4HNR1H2
SCHEMBL18705049 0.76 CHRM5 (0.39) TSHRMEN1KMT2A

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 5 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
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-2023072257-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 161/4885HSD17B10 327/4885CYP3A4 3608/4885
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN3, EGLN2, EGLN1 BRD4 161/4885HSD17B10 327/4885CYP3A4 3608/4885

“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.