SCHEMBL16135849

SCHEMBL16135849

CC(C)(C)OC(=O)N1CCC(n2c(-c3ccccc3F)nc3cccnc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.46
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OGFRL1 Q5TC84 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL16136099 0.89 CNR1 (0.50) GPR119OPRM1OPRD1OGFRL1PDE10A
SCHEMBL16135832 0.87 GPR119 (0.49) GPR119OPRM1OPRD1OGFRL1POLB
SCHEMBL16291191 0.85 PDE4B (0.42) PDE10APOLBCNR1CNR2
SCHEMBL30362524 0.82 SRC (0.47) GPR119CNR1CNR2BTK
SCHEMBL19877586 0.82 SRC (0.47) GPR119CNR1CNR2BTK
SCHEMBL16307393 0.79 POLB (0.41) PDE10APOLBCNR1CNR2MAPT
SCHEMBL16135780 0.78 TP53 (0.54) PDE10APOLBCNR1CNR2
SCHEMBL16135827 0.77 CNR2 (0.49) GPR119OPRM1OPRD1OGFRL1CNR1
SCHEMBL13865491 0.75 NOS2 (0.53) POLBMAPTSMN1; SMN2
SCHEMBL13319468 0.74 HTR3E (0.46) POLBMAPT

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
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-9771327-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-09-26 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
US-20140371263-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — 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 (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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE GPR119 2982/4885OPRM1 2919/4885OPRD1 2682/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE GPR119 2982/4885OPRM1 2919/4885OPRD1 2682/4885
US-20140371263-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, ABCB11 GPR119 1406/4885OPRM1 3068/4885OPRD1 2494/4885

“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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