SCHEMBL26808355

SCHEMBL26808355

CC(C)c1ccccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ RIPK2 O43353 5/20 0.38
▸ NOD2 Q9HC29 5/20 0.38
▸ ACVR1 Q04771 4/20 0.38
▸ FLT3 P36888 1/20 0.36
▸ GUSB P08236 2/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL26808371 0.92 MAPT (0.41) HTR6HTR1ADRD2HTR7MAPK10
SCHEMBL26807343 0.92 HTR6 (0.38) HTR6HTR1ADRD2HTR7RIPK2
SCHEMBL29566834 0.92 HTR6 (0.38) HTR6HTR1ADRD2HTR7RIPK2
SCHEMBL26807316 0.90 RIPK2 (0.39) HTR6HTR1AHTR7RIPK2NOD2
SCHEMBL29566726 0.90 RIPK2 (0.39) HTR6HTR1AHTR7RIPK2NOD2
SCHEMBL24310301 0.89 GUSB (0.37) HTR6RIPK2NOD2ACVR1FLT3
SCHEMBL29566475 0.89 GUSB (0.37) HTR6RIPK2NOD2ACVR1FLT3
SCHEMBL26807468 0.89 GUSB (0.42) HTR6RIPK2NOD2ACVR1FLT3
SCHEMBL29567073 0.88 HTR1A (0.43) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL24309659 0.88 HTR1A (0.43) HTR6HTR1ADRD2HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR6 2653/4885HTR1A 4018/4885DRD2 4505/4885

“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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