SCHEMBL26807608

SCHEMBL26807608

CC1(C)CCCCC1c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.45
▸ RIPK2 O43353 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GUSB P08236 3/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 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
SCHEMBL29566504 0.87 TSHR (0.44) HTR6SMN1; SMN2MAPTTSHRLMNA
SCHEMBL24310498 0.87 TSHR (0.44) HTR6SMN1; SMN2MAPTTSHRLMNA
SCHEMBL26807878 0.86 HTR6 (0.50) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL26807481 0.79 HTR1A (0.39) HTR6SMN1; SMN2MAPTTSHRHTR1A
SCHEMBL26806980 0.79 HTR6 (0.55) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL26807604 0.79 TSHR (0.43) HTR6SMN1; SMN2MAPTTSHRLMNA
SCHEMBL26807606 0.77 HRH3 (0.40) SMN1; SMN2TSHR
SCHEMBL29566941 0.76 CDK4 (0.38) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL24309695 0.76 CDK4 (0.38) HTR6RIPK2ACVR1NOD2FLT3
SCHEMBL26810553 0.75 HTR6 (0.36) HTR6RIPK2ACVR1NOD2FLT3

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 2653/4885RIPK2 3698/4885ACVR1 1319/4885

“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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