SCHEMBL24325876

SCHEMBL24325876

OC1CNCc2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
FDPS P14324 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CDK4 P11802 1/20 0.32
FLT3 P36888 1/20 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
SCHEMBL29571948 1.00 DRD2 (0.40) DRD2DRD1CHRNB2CHRNA4CHRNA7
SCHEMBL26620755 0.79 CHRNB2 (0.39) DRD2DRD1CHRNB2CHRNA4CHRNA7
SCHEMBL24316217 0.78 CHRNB2 (0.36) DRD2DRD1CHRNB2CHRNA4CHRNA7
SCHEMBL17545496 0.75
SCHEMBL31119395 0.75 CHRNB2 (0.36) DRD2DRD1CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL31354878 0.73 CHRNB2 (0.35) DRD2DRD1CHRNB2CHRNA4CHRNA7
SCHEMBL3922304 0.73 MEN1 (0.56) DRD2DRD1CHRNB2CHRNA4MEN1
SCHEMBL31062493 0.73 MEN1 (0.56) DRD2DRD1CHRNB2CHRNA4MEN1
Hydrochloric Acid SCHEMBL29457654 0.72 MEN1 (0.55) DRD2DRD1CHRNB2CHRNA4MEN1
Hydrochloric Acid SCHEMBL10957229 0.72 MEN1 (0.55) DRD2DRD1CHRNB2CHRNA4MEN1

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-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
CN-109890797-A It can be used as the substituted carbon nucleoside derivates of anticancer agent 辉瑞公司 2019-06-14 CN 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 DRD2 4522/4885DRD1 4657/4885CHRNB2 1645/4885

“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.