SCHEMBL20072276

SCHEMBL20072276

CC1CCCN(C(C)C)CC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
KAT2B Q92831 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL863457 0.89 KDM4E (0.39) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL10017901 0.89 KDM4E (0.39) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL12717539 0.89 KDM4E (0.39) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL21754625 0.83 KDM4E (0.38) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL16285864 0.83 KDM4E (0.38) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL1110071 0.83 KDM4E (0.38) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL8259879 0.81 DRD2 (0.32) DRD2DRD3KDM4ELMNA
SCHEMBL25093174 0.81 KDM4E (0.37) DRD2DRD3ALDH1A1KDM4EKAT2B
SCHEMBL1117894 0.80 ALDH1A1 (0.34) DRD2DRD3ALDH1A1KDM4EMEN1
SCHEMBL8259189 0.79 MEN1 (0.31) MEN1KMT2A

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
WO-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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 (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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 DRD2 4731/4885DRD3 4758/4885ALDH1A1 819/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 DRD2 4535/4885DRD3 4666/4885ALDH1A1 778/4885

“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.