SCHEMBL26837336

SCHEMBL26837336

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCNCC3)c(Cl)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ GUSB P08236 4/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SRC P12931 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
SCHEMBL29567043 1.00 HTR6 (0.37) HTR6HTR1AHTR7HTR2CHTR2B
SCHEMBL26808265 0.94 HTR3E (0.39) HTR6GUSBSRC
SCHEMBL29566284 0.94 HTR3E (0.39) HTR6GUSBSRC
SCHEMBL24309786 0.92 DGAT2 (0.40) HTR6
SCHEMBL26858387 0.89 GUSB (0.42) HTR6GUSB
SCHEMBL24310583 0.89 RIPK2 (0.38) HTR6GUSB
SCHEMBL29566991 0.88 HTR1D (0.37) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL26806483 0.88 ALOX12 (0.39) HTR2CNMT1
SCHEMBL26809817 0.88 HTR1D (0.37) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL26809994 0.86 GUSB (0.36) HTR6GUSB

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 1 patent. 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

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 4018/4885HTR7 3833/4885

“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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