SCHEMBL16684946

SCHEMBL16684946

COC(=O)c1cccc2c1C(CC(F)(F)F)CN2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ PDK2 Q15119 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
SCHEMBL16685007 0.85 GAA (0.37) POLBPDK2
SCHEMBL16684950 0.84 DRD2 (0.41) ALOX5KDM4EPOLBATMDRD2
SCHEMBL16684794 0.84 KDM4E (0.33) ALOX5KDM4E
SCHEMBL16685133 0.82 DRD2 (0.42) ALOX5DRD2
SCHEMBL16684943 0.81 HPGD (0.41) KDM4EPOLB
SCHEMBL16685002 0.80 ALOX5 (0.39) ALOX5KDM4EPOLBATMDRD2
SCHEMBL16684902 0.77 ALOX5 (0.43) ALOX5KDM4EPOLBATMDRD2
SCHEMBL16685117 0.73 HTR2A (0.38) —
SCHEMBL18190820 0.70 SIRT1 (0.39) KDM4EPOLBATMDRD2PDK2
SCHEMBL16684897 0.69 CCKBR (0.39) —

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
CN-107873030-B 5-HT2CReceptor agonists and compositions and methods of use 艾尼纳制药公司 2021-03-19 — — CN disclosed
US-10392390-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
EP-3288946-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2019-08-21 — — EP disclosed
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-07-05 — — US disclosed
EP-3288946-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2018-03-07 — — EP disclosed
WO-2016176177-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2016-11-03 — — WO disclosed
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO 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-10392390-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 ALOX5 2492/4885KDM4E 1393/4885POLB 2113/4885
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 ALOX5 2492/4885KDM4E 1393/4885POLB 2113/4885

“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.

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