SCHEMBL18253161

SCHEMBL18253161

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.62
PDK4 Q16654 1/20 0.57
GRM5 P41594 11/20 0.57
GRM1 Q13255 11/20 0.57
HTR6 P50406 1/20 0.53
TNK2 Q07912 1/20 0.49
BTK Q06187 1/20 0.49
USP30 Q70CQ3 1/20 0.46
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL19989639 0.90 NAMPT (0.67) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL2239831 0.90 NAMPT (0.66) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL5548551 0.89 NAMPT (0.59) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL18121785 0.86 NAMPT (0.57) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL3034673 0.86 NAMPT (0.59) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL31110456 0.85 NAMPT (0.58) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL8912847 0.84 NAMPT (0.63) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL2951348 0.84 NAMPT (0.60) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL3169756 0.83 PDK4 (0.55) NAMPTPDK4GRM5GRM1HTR6
SCHEMBL904049 0.83 NAMPT (0.61) NAMPTPDK4GRM5GRM1HTR6

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
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 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 (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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NAMPT 2838/4885PDK4 478/4885GRM5 3899/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NAMPT 2850/4885PDK4 529/4885GRM5 3731/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC NAMPT 2838/4885PDK4 478/4885GRM5 3899/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC NAMPT 2838/4885PDK4 478/4885GRM5 3899/4885

“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.