SCHEMBL15468337

SCHEMBL15468337

CCC1CCN(CC(F)(F)F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PER2 O15055 10/20 0.40
▸ CRY2 Q49AN0 2/20 0.40
▸ ACE P12821 2/20 0.37
▸ AR P10275 5/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL17032187 0.83 ACE (0.37) PER2ACEPIK3CDDPP4DPP8
SCHEMBL25543646 0.82 CYP1A2 (0.33) ACE
SCHEMBL758907 0.79 ACE (0.42) PER2CRY2ACEPIK3CD
SCHEMBL12306282 0.78 PIK3CD (0.55) PER2CRY2PIK3CDDPP4DPP8
SCHEMBL7621338 0.78 ACE (0.32) PER2ACEPIK3CDDPP4DPP8
SCHEMBL19198697 0.78 PIK3CD (0.55) PER2CRY2PIK3CDDPP4DPP8
SCHEMBL15199072 0.75 PER2 (0.35) PER2PIK3CDDPP4DPP8DPP7
SCHEMBL25541942 0.75 PER2 (0.41) PER2CRY2PIK3CDDPP4DPP8
SCHEMBL28306716 0.74 ACE (0.38) ACEDPP4DPP8DPP7
SCHEMBL19170192 0.74 CYP3A4 (0.44) PER2PIK3CDDPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 — — US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 — — US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — US disclosed
US-8648081-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2014-02-11 — — 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 (3 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-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 PER2 2749/4885CRY2 4055/4885ACE 2974/4885
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE SLC18A2, SLC6A3, SLC6A2 PER2 2661/4885CRY2 3879/4885ACE 3111/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE PER2 4658/4885CRY2 4849/4885ACE 140/4885

“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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