SCHEMBL4550241

SCHEMBL4550241

CC(=O)N1CCN(C2CCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PHGDH O43175 1/20 0.46
MGLL Q99685 1/20 0.46
HRH3 Q9Y5N1 8/20 0.45
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL13088446 0.96 POLB (0.55) POLBHSD17B10CYP1A2TDP1L3MBTL3
SCHEMBL13627077 0.94 HRH3 (0.48) POLBHSD17B10CYP1A2TDP1L3MBTL3
SCHEMBL10075487 0.94 POLB (0.58) POLBHSD17B10L3MBTL3L3MBTL1PHGDH
SCHEMBL13453747 0.94 POLB (0.58) POLBHSD17B10L3MBTL3L3MBTL1PHGDH
SCHEMBL13088457 0.94 POLB (0.58) POLBHSD17B10L3MBTL3L3MBTL1PHGDH
SCHEMBL15508283 0.91 CYP1A2 (0.52) POLBHSD17B10CYP1A2TDP1L3MBTL3
SCHEMBL18711627 0.88 CYP1A2 (0.45) POLBHSD17B10CYP1A2TDP1L3MBTL3
SCHEMBL24192451 0.85 USP2 (0.50) POLBHSD17B10CYP1A2TDP1HRH3
Cyanide SCHEMBL27976810 0.85 CYP1A2 (0.46) POLBHSD17B10CYP1A2TDP1L3MBTL3
SCHEMBL3774153 0.85 HRH3 (0.50) HSD17B10HRH3ALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
EP-2398780-B1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB (SE) 2013-04-17 EP disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (3 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB POLB 275/4885HSD17B10 1984/4885CYP1A2 814/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR POLB 2800/4885HSD17B10 248/4885CYP1A2 456/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD POLB 225/4885HSD17B10 1748/4885CYP1A2 702/4885

“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.