SCHEMBL23828297

SCHEMBL23828297

CN(C)c1ccc2cc(C(=O)N3CCc4[nH]c5ccccc5c4C3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 1.00
▸ MAPT P10636 4/20 0.56
▸ LMNA P02545 1/20 0.56
▸ BAZ2B Q9UIF8 1/20 0.56
▸ KMT2A Q03164 4/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ CASP1 P29466 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 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
SCHEMBL30570561 1.00 CFTR (1.00) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL31020955 0.89 CFTR (0.79) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL23828252 0.89 CFTR (0.79) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL21617987 0.86 CFTR (0.76) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL23828248 0.86 CFTR (1.00) CFTRBAZ2BKMT2ANPC1RAB9A
SCHEMBL31020950 0.86 CFTR (1.00) CFTRBAZ2BKMT2ANPC1RAB9A
SCHEMBL23828213 0.79 BAZ2B (0.65) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL31020960 0.79 BAZ2B (0.65) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL17938707 0.79 KMT2A (0.67) CFTRMAPTLMNABAZ2BKMT2A
SCHEMBL22395068 0.76 CFTR (0.61) CFTRKMT2ANPC1RAB9ARXFP1

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
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP claimed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US claimed
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — 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 (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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885MAPT 4258/4885LMNA 2957/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885MAPT 4258/4885LMNA 2957/4885

“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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