SCHEMBL8305574

SCHEMBL8305574

CC(C)(C)OC(=O)N1C2CCC1COC2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
PREP P48147 4/20 0.48
HSD11B1 P28845 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
EPHX1 P07099 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
NR1H2 P55055 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
SCHEMBL911596 0.93 CHRM2 (0.56) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL17483515 0.89 CHRM2 (0.55) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL16253690 0.87 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL17716578 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL25010681 0.86 CHRM2 (0.75) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL2123260 0.86 CHRM2 (0.75) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL2299743 0.86 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5243293 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL11993192 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL17716581 0.85 CHRM2 (0.52) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors PFIZER INC. (US) 2018-07-17 US disclosed
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2017-08-10 US disclosed
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2017-08-10 US disclosed
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-05-04 US disclosed
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-05-04 US disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 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 (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-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA CHRM2 4242/4885CHRM1 4248/4885CHRM3 4674/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA CHRM2 4242/4885CHRM1 4248/4885CHRM3 4674/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA CHRM2 4242/4885CHRM1 4248/4885CHRM3 4674/4885

“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.