SCHEMBL18190820

SCHEMBL18190820

COC(=O)c1cccc2c1C(CC(F)(F)F)CN2CCN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.39
▸ MYC P01106 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CFTR P13569 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL16685054 0.96 SIRT1 (0.36) SIRT1MYCKDM4ESMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL16685056 0.86 SIRT1 (0.37) SIRT1MYCKDM4ESMN1; SMN2KMT2A
SCHEMBL16685178 0.84 SIRT1 (0.40) SIRT1MYCKDM4ESMN1; SMN2KMT2A
SCHEMBL16684903 0.71 MYC (0.40) SIRT1MYCKDM4ESMN1; SMN2KMT2A
SCHEMBL16685155 0.71 HTR2C (0.38) —
SCHEMBL16684946 0.70 ALOX5 (0.37) KDM4EPOLBDRD2PDK2ATM
SCHEMBL16684830 0.69 KDM4E (0.41) SIRT1MYCKDM4EKMT2AL3MBTL1
SCHEMBL16684924 0.64 DRD2 (0.38) SIRT1MYCKDM4ESMN1; SMN2KMT2A
SCHEMBL16685237 0.63 HTR2C (0.38) SIRT1KMT2AMEN1
SCHEMBL17075230 0.61 HTR2A (0.34) KMT2AMEN1ALDH1A1

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 6 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

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 SIRT1 2156/4885MYC 2571/4885KDM4E 1393/4885
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 SIRT1 2156/4885MYC 2571/4885KDM4E 1393/4885

“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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