SCHEMBL24331210

SCHEMBL24331210

Cc1cccc(CC2CCOCC2)c1-c1nc(N)nc(Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.36
▸ SLC6A4 P31645 6/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ ADORA2A P29274 5/20 0.36
▸ DCPS Q96C86 2/20 0.35
▸ DHFR P00374 1/20 0.35
▸ ADORA1 P30542 3/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PIK3CG P48736 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL29515287 1.00 PARP14 (0.36) PARP14SLC6A4SLC6A2CYP2D6SLC6A3
SCHEMBL30588677 0.90 PDE9A (0.36) ADORA2AADORA1PIK3CA
SCHEMBL26125484 0.90 PDE9A (0.36) ADORA2AADORA1PIK3CA
SCHEMBL29515233 0.80 GHSR (0.32) PARP14BACE1CNR1KCNH2
SCHEMBL24331179 0.80 GHSR (0.32) PARP14BACE1CNR1KCNH2
SCHEMBL29515320 0.75 HSP90AA1 (0.42) ADORA2ADHFRADORA1
SCHEMBL24330396 0.75 HSP90AA1 (0.42) ADORA2ADHFRADORA1
SCHEMBL24330488 0.74 HSP90AA1 (0.34) ADORA2ADHFRADORA1
SCHEMBL24331524 0.74 GABRA1 (0.36) ADORA2ADHFRADORA1
SCHEMBL29515202 0.74 HSP90AA1 (0.34) ADORA2ADHFRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2022076620-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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PARP14 4202/4885SLC6A4 2363/4885SLC6A2 3635/4885

“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.

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