SCHEMBL21294962

SCHEMBL21294962

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
KDM1A O60341 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HTR2C P28335 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GUSB P08236 1/20 0.40
MAOA P21397 1/20 0.39
HCRTR2 O43614 1/20 0.39
TACR1 P25103 2/20 0.39
SCN9A Q15858 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
DRD2 P14416 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL21306626 1.00 MAOB (0.42) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL29481962 1.00 MAOB (0.42) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL20063742 1.00 MAOB (0.42) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL29481964 1.00 MAOB (0.42) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL21306627 0.88 SCN9A (0.46) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL21307056 0.88 SCN9A (0.46) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL29482018 0.88 KDM1A (0.44) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL21294857 0.88 KDM1A (0.44) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL29482052 0.88 KDM1A (0.44) MAOBKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL21306636 0.86 KDM1A (0.48) MAOBKDM1ATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2021-07-15 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
CN-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 CN disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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 (5 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 MAOB 1656/4885KDM1A 4612/4885TAS1R3 4539/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 MAOB 1125/4885KDM1A 3431/4885TAS1R3 2400/4885
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 MAOB 2190/4885KDM1A 2698/4885TAS1R3 2889/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 MAOB 1125/4885KDM1A 3431/4885TAS1R3 2400/4885
US-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN1B, CACNA1A, SCN1A MAOB 2315/4885KDM1A 1223/4885TAS1R3 255/4885

“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.