SCHEMBL26813092

SCHEMBL26813092

CC(C)c1nc2c(c(Oc3ccccc3)n1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 16/20 0.45
▸ ACHE P22303 16/20 0.45
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 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) BCHEACHELMNAHTTGRIN1
SCHEMBL24287389 0.77 LMNA (0.57) BCHEACHELMNAHTTALDH1A1
SCHEMBL2267024 0.74 ACHE (0.51) BCHEACHELMNAGRIN1GRIN2A
SCHEMBL11399141 0.71 HTR2C (0.64) BCHEACHEALDH1A1HSD17B10SLC6A2
SCHEMBL11399146 0.71 HRH4 (0.67) ACHEHSD17B10
SCHEMBL11393508 0.70 SMN1; SMN2 (0.60) BCHEACHELMNAHTTALDH1A1
SCHEMBL528015 0.69 ACHE (0.50) BCHEACHEGRIN1GRIN2AGRIN2B
SCHEMBL11399701 0.69 HTR2C (0.60) BCHEACHEALDH1A1HSD17B10SLC6A2
SCHEMBL11388985 0.69 HRH4 (0.67) ACHEHSD17B10
SCHEMBL15440139 0.69 HTT (0.41) ACHEHTTALDH1A1TSHRHSD17B10

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 2 patents. 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
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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