SCHEMBL21294857

SCHEMBL21294857

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOB P27338 1/20 0.44
HCRTR2 O43614 2/20 0.41
TACR1 P25103 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HTR2C P28335 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GUSB P08236 1/20 0.40
EPHX2 P34913 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
BTK Q06187 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
CCR2 P41597 1/20 0.39
DRD2 P14416 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
SCHEMBL29482052 1.00 KDM1A (0.44) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL29482018 1.00 KDM1A (0.44) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL29481964 0.88 MAOB (0.42) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL21306627 0.88 SCN9A (0.46) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL29481962 0.88 MAOB (0.42) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL20063742 0.88 MAOB (0.42) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL21294962 0.88 MAOB (0.42) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL21307056 0.88 SCN9A (0.46) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL21306626 0.88 MAOB (0.42) KDM1AMAOBHCRTR2TACR1TAS1R3
SCHEMBL20063765 0.86 SCN9A (0.48) KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115576-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2025-04-10 US disclosed
US-12209075-B2 Pyridine-sulfonamide derivatives as sodium channel inhibitors GENENTECH, INC. (US) 2025-01-28 US disclosed
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-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
EP-3797101-A1 PYRIDIDNE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-03-31 EP 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-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 (6 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 KDM1A 4612/4885MAOB 1656/4885HCRTR2 1182/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 KDM1A 3431/4885MAOB 1125/4885HCRTR2 1115/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 KDM1A 3431/4885MAOB 1125/4885HCRTR2 1115/4885
US-12209075-B2 Pyridine-sulfonamide derivatives as sodium channel inhibitors SCN1B, CACNA1A, SCN1A KDM1A 1140/4885MAOB 2312/4885HCRTR2 1445/4885
US-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN1B, CACNA1A, SCN1A KDM1A 1223/4885MAOB 2315/4885HCRTR2 1419/4885
US-20250115576-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF F12, REN, ZYX KDM1A 2946/4885MAOB 640/4885HCRTR2 252/4885

“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.