SCHEMBL4550272

SCHEMBL4550272

CC(=O)N1CCC(C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 4/20 0.40
RXFP1 Q9HBX9 1/20 0.38
MAP3K12 Q12852 1/20 0.37
VNN1 O95497 2/20 0.37
EPHX1 P07099 1/20 0.37
QDPR P09417 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36

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
SCHEMBL18711611 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RXFP1
SCHEMBL18711609 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RXFP1
SCHEMBL4550271 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RXFP1
SCHEMBL7860329 0.88 EPHX2 (0.46) SPRSMN1; SMN2EPHX2EPHX1QDPR
SCHEMBL27897406 0.83 SPR (0.48) SPRSMN1; SMN2RXFP1VNN1DPP8
SCHEMBL19014078 0.83 CHRNB2 (0.46) SPRSMN1; SMN2EPHX2RXFP1CHRNB2
Trifluoroacetic Acid SCHEMBL20398316 0.83 SMN1; SMN2 (0.48) SMN1; SMN2RXFP1
SCHEMBL12384517 0.82 EPHX2 (0.53) SMN1; SMN2EPHX2EPHX1CHRNB2CHRNA3
SCHEMBL4218523 0.82 SPR (0.47) SPRSMN1; SMN2RXFP1VNN1DPP8
SCHEMBL1104706 0.82 EPHX2 (0.53) SMN1; SMN2EPHX2EPHX1CHRNB2CHRNA3

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 7 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
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 SPR 3569/4885SMN1; SMN2 3309/4885EPHX2 948/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885SMN1; SMN2 2655/4885EPHX2 1398/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD SPR 3686/4885SMN1; SMN2 2248/4885EPHX2 335/4885

“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.