SCHEMBL24326515

SCHEMBL24326515

CC(C)C[C@H]1NCCc2cc(C(C)(C)C)ccc2C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.40
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
KDM1A O60341 1/20 0.34
DRD2 P14416 2/20 0.32
MAOA P21397 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
DRD3 P35462 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD4 P21917 1/20 0.32
GRIN2D O15399 8/20 0.32
GRIN3B O60391 8/20 0.32
GRIN1 Q05586 8/20 0.32
GRIN2A Q12879 8/20 0.32
GRIN2B Q13224 8/20 0.32
GRIN2C Q14957 8/20 0.32

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
SCHEMBL27012368 1.00 PRCP (0.40) PRCPADRB2ADRB1ADRB3KDM1A
SCHEMBL24326445 0.73 ADRB2 (0.44) PRCPADRB2ADRB1ADRB3KDM1A
SCHEMBL27023095 0.73 PRCP (0.40) PRCPTRPV1
SCHEMBL24478251 0.72 MAOA (0.51) KDM1ADRD2MAOAKDM4ECYP2C9
SCHEMBL24326763 0.71 CYP1A2 (0.32) HSD17B10
SCHEMBL15912349 0.71 KDM1A (0.38) ADRB2ADRB1ADRB3KDM1ADRD2
SCHEMBL29060470 0.69 PRCP (0.41) PRCPKDM1ADRD2MAOAKDM4E
SCHEMBL15249378 0.67 TRPV1 (0.37) HSD17B10TRPV1
SCHEMBL27006649 0.66 MMP1 (0.45)
SCHEMBL27012367 0.66 MMP1 (0.45)

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 5 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
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 PRCP 1505/4885ADRB2 1121/4885ADRB1 756/4885

“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.