SCHEMBL24326445

SCHEMBL24326445

CC(C)(C)c1ccc2c(c1)CCNC2CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
PRCP P42785 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
KDM1A O60341 2/20 0.39
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
RIN1 Q13671 1/20 0.39
TBXA2R P21731 3/20 0.39
BCHE P06276 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
SCHEMBL24478251 0.78 MAOA (0.51) DRD2DRD4KDM1A
SCHEMBL24326795 0.78 KMT2A (0.39) ADRB2ADRB1ADRB3PRCPGAA
SCHEMBL15912349 0.77 KDM1A (0.38) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL24326515 0.73 PRCP (0.40) ADRB2ADRB1ADRB3PRCPDRD2
SCHEMBL27012368 0.73 PRCP (0.40) ADRB2ADRB1ADRB3PRCPDRD2
SCHEMBL4049149 0.73 PRCP (0.65) PRCPGAA
SCHEMBL16308969 0.73 PRCP (0.65) PRCPGAA
SCHEMBL31569387 0.73 PRCP (0.65) PRCPGAA
SCHEMBL3798032 0.73 PRCP (0.65) PRCPGAA
SCHEMBL29060470 0.71 PRCP (0.41) PRCPDRD2DRD4KDM1A

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 ADRB2 1121/4885ADRB1 756/4885ADRB3 999/4885

“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.