SCHEMBL29567337

SCHEMBL29567337

CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
QDPR P09417 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
DPP4 P27487 1/20 0.50
PDE4B Q07343 1/20 0.50
HRH3 Q9Y5N1 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GPR119 Q8TDV5 4/20 0.47
P2RY14 Q15391 1/20 0.46
TRPV3 Q8NET8 1/20 0.46

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
SCHEMBL24309415 1.00 NAMPT (0.52) NAMPTQDPRKDM4EMAPTTHRB
SCHEMBL22608983 0.93 PDE4B (0.59) NAMPTQDPRKDM4EMAPTTHRB
SCHEMBL30493305 0.90 NAMPT (0.52) NAMPTQDPRKDM4EMAPTTHRB
SCHEMBL20347002 0.90 NAMPT (0.52) NAMPTQDPRKDM4EMAPTTHRB
SCHEMBL19702757 0.90 DPP4 (0.55) NAMPTKDM4EMAPTTHRBDPP4
SCHEMBL15650585 0.87 PDE4B (0.53) MAPTDPP4PDE4BHRH3TRPV3
SCHEMBL3988015 0.86 DPP4 (0.52) NAMPTKDM4EMAPTTHRBDPP4
SCHEMBL4846419 0.86 MAPT (0.51) NAMPTKDM4EMAPTTHRBDPP4
SCHEMBL23858326 0.86 NAMPT (0.53) NAMPTQDPRKDM4EMAPTTHRB
SCHEMBL30075838 0.86 NAMPT (0.53) NAMPTQDPRKDM4EMAPTTHRB

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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 (1 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NAMPT 1836/4885QDPR 1331/4885KDM4E 4141/4885

“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.