SCHEMBL24324138

SCHEMBL24324138

CC1(C[C@H](CO)NC(=O)OCc2ccccc2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
CYP3A4 P08684 14/20 0.48
TSHR P16473 10/20 0.48
CYP2C9 P11712 8/20 0.48
CYP2C19 P33261 7/20 0.48
CYP1A2 P05177 6/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP2D6 P10635 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
CASP1 P29466 1/20 0.47
SYK P43405 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KYNU Q16719 1/20 0.44

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
SCHEMBL26569247 1.00 CTRB1 (0.51) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL29600286 1.00 CTRB1 (0.51) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL3611336 0.96 CTRB1 (0.50) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL6091673 0.95 CTRB1 (0.53) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL3607911 0.85 CTRB1 (0.48) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL18762577 0.84 CTSK (0.50) CYP3A4TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL18762504 0.84 CTSK (0.50) CYP3A4TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL13502979 0.84 CTRB1 (0.47) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL26122643 0.83 CTRB1 (0.51) CTRB1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL2398018 0.82 KYNU (0.57) CYP3A4TSHRCYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CTRB1 401/4885CYP3A4 4125/4885TSHR 2267/4885

“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.