SCHEMBL21294889

SCHEMBL21294889

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
TACR1 P25103 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GUSB P08236 1/20 0.38
HTR2C P28335 2/20 0.37
HCRTR2 O43614 1/20 0.37
SCN9A Q15858 3/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21306627 0.86 SCN9A (0.46) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL21307056 0.86 SCN9A (0.46) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL29481962 0.84 MAOB (0.42) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL21294962 0.84 MAOB (0.42) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL29482018 0.84 KDM1A (0.44) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL20063742 0.84 MAOB (0.42) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL21306626 0.84 MAOB (0.42) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL21294857 0.84 KDM1A (0.44) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL29482052 0.84 KDM1A (0.44) KDM1AMAOBTACR1TAS1R3TAS1R1
SCHEMBL29481964 0.84 MAOB (0.42) KDM1AMAOBTACR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 1656/4885TACR1 186/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 KDM1A 3431/4885MAOB 1125/4885TACR1 210/4885

“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.