SCHEMBL26815019

SCHEMBL26815019

CCc1nc2c(c(Oc3ccccc3)n1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 11/20 0.45
▸ ACHE P22303 11/20 0.45
▸ LMNA P02545 2/20 0.41
▸ HTR2C P28335 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38

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
SCHEMBL24287266 0.80 LMNA (0.57) BCHEACHELMNAHTTCYP1A2
SCHEMBL24287389 0.77 LMNA (0.57) BCHEACHELMNAHTTCYP1A2
SCHEMBL26813092 0.77 BCHE (0.45) BCHEACHELMNAHTTCYP1A2
SCHEMBL12677180 0.76 LMNA (0.49) LMNAHTR2CKDM4EALDH1A1HSD17B10
SCHEMBL2267024 0.74 ACHE (0.51) BCHEACHELMNACYP1A2CYP2C19
SCHEMBL26813080 0.73 ACHE (0.45) BCHEACHELMNAHTTCYP1A2
SCHEMBL24287374 0.73 PGR (0.46) BCHEACHELMNAHTTGRIN1
SCHEMBL11399146 0.71 HRH4 (0.67) ACHEHTR2CHSD17B10SMN1; SMN2
SCHEMBL24287507 0.70 PGR (0.46) BCHEACHELMNAHTTKDM4E
SCHEMBL11393508 0.70 SMN1; SMN2 (0.60) BCHEACHELMNAHTR2CHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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 (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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B BCHE 4419/4885ACHE 4824/4885LMNA 3948/4885

“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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