SCHEMBL29950448

SCHEMBL29950448

O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCC12CCCC2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.61
ADRA1B P35368 1/20 0.61
KCNH2 Q12809 2/20 0.56
SIGMAR1 Q99720 2/20 0.52
HTR7 P34969 1/20 0.50

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
SCHEMBL29950079 0.89 KCNH2 (0.55) HTR1AADRA1BKCNH2SIGMAR1HTR7
SCHEMBL29950038 0.79 HTR1A (0.59) HTR1AADRA1BHTR7
SCHEMBL30767216 0.74 KCNH2 (0.90) HTR1AKCNH2SIGMAR1HTR7
SCHEMBL32677386 0.74 HTR1A (0.53) HTR1AADRA1BKCNH2HTR7
SCHEMBL1254408 0.73 KCNH2 (0.77) HTR1AKCNH2SIGMAR1HTR7
Hydrochloric Acid SCHEMBL7658247 0.73 KCNH2 (0.88) HTR1AKCNH2SIGMAR1HTR7
SCHEMBL4525555 0.73 KCNH2 (1.00) HTR1AKCNH2SIGMAR1HTR7
SCHEMBL13711973 0.73 KCNH2 (0.87) KCNH2
SCHEMBL13711969 0.72 KCNH2 (0.70) HTR1AKCNH2SIGMAR1HTR7
SCHEMBL12654684 0.72 DOCK5 (0.54) HTR1AADRA1BSIGMAR1HTR7

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-20220306629-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2022-09-29 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-20220306629-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR5A, HTR1A HTR1A 3/4885ADRA1B 85/4885KCNH2 3278/4885

“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.