SCHEMBL7944945

SCHEMBL7944945

CC(=O)N1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.67
CYP1A2 P05177 1/20 0.50
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20299275 0.92 CYP2D6 (0.60) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL20299276 0.92 CYP2D6 (0.60) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL196226 0.89 CYP2D6 (0.67) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL31047955 0.88 CYP2D6 (0.67) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL28414380 0.86 CYP2D6 (0.64) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL20595058 0.86 CYP2D6 (0.64) CYP2D6CYP1A2POLBLMNAALDH1A1
SCHEMBL28683597 0.85 CYP2D6 (0.55) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL9852971 0.85 CYP2D6 (0.62) CYP2D6POLBLMNAALDH1A1KMT2A
SCHEMBL15904033 0.85 CYP2D6 (0.62) CYP2D6CYP1A2POLBLMNANPC1
SCHEMBL15940656 0.84 CYP2D6 (0.61) CYP2D6CYP1A2POLBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333587-B Substituted pyrimidine-2, 4 (1H, 3H) -dione derivatives and uses thereof 东莞市东阳光新药研发有限公司 2023-04-07 CN disclosed
CN-111333587-A Substituted pyrimidine-2, 4(1H,3H) -dione derivatives and uses thereof 东莞市东阳光新药研发有限公司 2020-06-26 CN disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9629843-B2 MTOR modulators and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
US-9629843-B2 MTOR modulators and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
EP-3009436-A1 KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2016-04-20 EP disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20160000789-A1 MTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-01-07 US disclosed
EP-2313414-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2015-11-04 EP disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-20110224223-A1 MTOR Modulators and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2011-09-15 US disclosed
US-20110224223-A1 MTOR Modulators and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2011-09-15 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 WO disclosed
WO-2010006072-A2 MTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 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 (4 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-20160000789-A1 MTOR MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR CYP2D6 4679/4885CYP1A2 4868/4885POLB 3273/4885
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 CYP2D6 4401/4885CYP1A2 4627/4885POLB 2650/4885
US-20110224223-A1 MTOR Modulators and Uses Thereof MTOR, RPTOR, RICTOR CYP2D6 4679/4885CYP1A2 4868/4885POLB 3273/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 CYP2D6 4401/4885CYP1A2 4627/4885POLB 2650/4885

“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.