SCHEMBL26808265

SCHEMBL26808265

Cc1cc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)ccc1N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ HTR6 P50406 12/20 0.34
▸ GUSB P08236 3/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL29566284 1.00 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29567043 0.94 HTR6 (0.37) HTR6GUSBSRC
SCHEMBL26837336 0.94 HTR6 (0.37) HTR6GUSBSRC
SCHEMBL24310583 0.90 RIPK2 (0.38) HTR6GUSBACVR1
SCHEMBL26858387 0.90 GUSB (0.42) HTR6GUSB
SCHEMBL26806483 0.90 ALOX12 (0.39) KCNH2
SCHEMBL26809994 0.88 GUSB (0.36) HTR6GUSBACVR1
SCHEMBL24309786 0.86 DGAT2 (0.40) HTR6
SCHEMBL29567188 0.84 HTR6 (0.37) HTR6GUSBACVR1SRC
SCHEMBL24310372 0.84 HTR6 (0.37) HTR6GUSBACVR1SRC

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 HTR3E 2661/4885HTR3B 2729/4885HTR3A 3641/4885

“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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