SCHEMBL20137426

SCHEMBL20137426

COC(=O)CC1(N)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP1 P03956 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
PIN1 Q13526 3/20 0.38
OPRL1 P41146 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
SCHEMBL20137427 1.00 HDAC9 (0.40) HDAC9MEN1KMT2AMAPTNPSR1
SCHEMBL30995679 0.92 KMT2A (0.47) HDAC9MEN1KMT2AMAPTNPSR1
SCHEMBL20137431 0.92 KMT2A (0.47) HDAC9MEN1KMT2AMAPTNPSR1
SCHEMBL20137430 0.92 KMT2A (0.47) HDAC9MEN1KMT2AMAPTNPSR1
SCHEMBL4735703 0.81 HDAC9 (0.44) HDAC9
SCHEMBL4737865 0.81 HDAC9 (0.44) HDAC9
SCHEMBL24483073 0.79 NOTUM (0.41) HDAC9MEN1KMT2AMAPTNPSR1
SCHEMBL28479206 0.79 MAPT (0.37) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL26692976 0.79 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL28479207 0.79 MAPT (0.37) MEN1KMT2AMAPTNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006323-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2024-06-11 US disclosed
US-11034699-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
CN-107580598-B Ethynyl derivatives as metabotropic glutamate receptor modulators 豪夫迈·罗氏有限公司 2020-11-13 CN disclosed
EP-3322701-B1 ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2019-05-01 EP disclosed
US-20190119290-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
US-10189848-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180134721-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-17 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-11034699-B2 Ethynyl derivatives GRM4, GRM2, GRIA4 HDAC9 2907/4885MEN1 2270/4885KMT2A 1371/4885
US-20180134721-A1 ETHYNYL DERIVATIVES GRM4, GRM2, GRIA4 HDAC9 2907/4885MEN1 2270/4885KMT2A 1371/4885
US-20190119290-A1 ETHYNYL DERIVATIVES GRM4, GRM2, GRIA4 HDAC9 2907/4885MEN1 2270/4885KMT2A 1371/4885
US-12006323-B2 Ethynyl derivatives GRM4, GRM2, GRIA4 HDAC9 2907/4885MEN1 2270/4885KMT2A 1371/4885
US-10189848-B2 Ethynyl derivatives GRM4, GRM2, GRIA4 HDAC9 2907/4885MEN1 2270/4885KMT2A 1371/4885

“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.