SCHEMBL9106744

SCHEMBL9106744

O=C(O)C1CCC(=O)N1c1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC5 Q9UQL6 4/20 0.42
P2RX7 Q99572 2/20 0.42
PHGDH O43175 1/20 0.41
CNR2 P34972 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
BPTF Q12830 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9106736 1.00 TSHR (0.52) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9103636 0.89 P2RX7 (0.47) TSHRP2RX7CNR2MEN1KMT2A
SCHEMBL9107374 0.89 TSHR (0.42) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9108816 0.89 P2RX7 (0.47) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9107363 0.89 TSHR (0.42) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL13285326 0.89 TSHR (0.45) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9108825 0.89 P2RX7 (0.47) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9109207 0.89 CCR1 (0.47) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9109215 0.89 CCR1 (0.47) TSHRHDAC1HDAC6HDAC8HDAC5
SCHEMBL9103625 0.89 P2RX7 (0.47) TSHRP2RX7CNR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036002-B Pharmaceutical compounds 细胞中心有限公司 2022-08-30 CN disclosed
US-11377443-B2 Pharmaceutical compounds CellCentric Limited (GB) 2022-07-05 US disclosed
CN-110049983-B Pharmaceutical compounds 细胞中心有限公司 2022-06-14 CN disclosed
US-20200407349-A1 PHARMACEUTICAL COMPOUNDS CellCentric Limited (GB) 2020-12-31 US disclosed
EP-3529248-B1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2020-08-19 EP disclosed
EP-3529240-B1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2020-08-05 EP disclosed
US-10696666-B2 Pharmaceutical compounds CellCentric Limited (GB) 2020-06-30 US disclosed
US-10647704-B2 Pharmaceutical compounds CELLCENTRIC LTD (GB) 2020-05-12 US disclosed
US-20190263788-A1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2019-08-29 US disclosed
CN-110049983-A Medical compounds 细胞中心有限公司 2019-07-23 CN disclosed
CN-110036002-A Medical compounds 细胞中心有限公司 2019-07-19 CN disclosed
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20200407349-A1 PHARMACEUTICAL COMPOUNDS EP300, HDAC1, HDAC11 TSHR 3664/4885HDAC1 2/4885HDAC6 12/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TSHR 1003/4885HDAC1 1767/4885HDAC6 1750/4885
US-10647704-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 TSHR 3861/4885HDAC1 2/4885HDAC6 13/4885
US-11377443-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 TSHR 3664/4885HDAC1 2/4885HDAC6 12/4885
US-20190263788-A1 PHARMACEUTICAL COMPOUNDS EP300, HDAC1, HDAC11 TSHR 3861/4885HDAC1 2/4885HDAC6 13/4885
US-10696666-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 TSHR 3664/4885HDAC1 2/4885HDAC6 12/4885

“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.