SCHEMBL24325925

SCHEMBL24325925

OC1CCc2ccccc2NC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
EPHX2 P34913 1/20 0.37
ANPEP P15144 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29570685 1.00 MTNR1A (0.39) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL15265894 0.80 MTNR1A (0.47) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL15265663 0.80 MTNR1A (0.47) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL31076159 0.80 MTNR1A (0.47) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL2152470 0.80 MTNR1A (0.47) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL4703041 0.77 PLAU (0.52) ALOX15HSD17B10MEN1KMT2ANPC1
SCHEMBL29350964 0.77 PLAU (0.52) ALOX15HSD17B10MEN1KMT2ANPC1
SCHEMBL29351061 0.77 ALOX15 (0.38) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL21447810 0.77 BRD4 (0.40) MTNR1AMTNR1BALOX15HSD17B10MEN1
SCHEMBL9024447 0.77 PLAU (0.52) ALOX15HSD17B10MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076625-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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MTNR1A 3085/4885MTNR1B 2304/4885ALOX15 3459/4885

“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.