SCHEMBL20063728

SCHEMBL20063728

CC(C)(C)OC(=O)N[C@H]1CC=C(c2cccc(C(F)(F)F)c2)C[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
KDM1A O60341 2/20 0.38
KIF11 P52732 1/20 0.37
HTR2C P28335 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RORC P51449 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN9A Q15858 2/20 0.35
PTPRB P23467 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL21838623 1.00 RXFP1 (0.40) RXFP1TAS1R3TAS1R1TAS1R2KDM1A
SCHEMBL20072855 0.87 HDAC4 (0.42) KDM1AKIF11HDAC4HDAC6RORC
SCHEMBL21306729 0.86 KAT6A (0.38) KDM1AMAOAMAOB
SCHEMBL20063870 0.86 RXFP1 (0.41) RXFP1TAS1R3TAS1R1TAS1R2KIF11
SCHEMBL21838612 0.85 CTSB (0.37) KDM1AMAOB
SCHEMBL20063868 0.79 KDM1A (0.39) KDM1AHDAC4HDAC6MAOAMAOB
SCHEMBL20063878 0.79 KDM1A (0.39) KDM1AHDAC4HDAC6MAOAMAOB
SCHEMBL20063804 0.76 KDM1A (0.38) KDM1ASCN9AMAOAMAOB
SCHEMBL20072993 0.76 NFKB1 (0.40) KDM1AHDAC4HDAC6RORCMAOA
SCHEMBL21838549 0.76 NFKB1 (0.40) KDM1AHDAC4HDAC6RORCMAOA

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 RXFP1 45/4885TAS1R3 2889/4885TAS1R1 2188/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 RXFP1 45/4885TAS1R3 2889/4885TAS1R1 2188/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 RXFP1 48/4885TAS1R3 2908/4885TAS1R1 2273/4885

“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.