SCHEMBL24014154

SCHEMBL24014154

O=C(I)N1CC2CNCC2C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 0.61
CHRNB4 P30926 20/20 0.61
CHRNA3 P32297 20/20 0.61
CHRNA4 P43681 20/20 0.61
CHRNA7 P36544 18/20 0.57
HTR3A P46098 1/20 0.42

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
SCHEMBL15256311 0.82 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL25372135 0.78 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL1906985 0.78 CHRNA4 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL25391666 0.78 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL5773702 0.78 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL2186724 0.78 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL24693316 0.76 CHRNA4 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL745134 0.76 CHRNA4 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL3792324 0.76 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL29663874 0.76 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-11 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 (2 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-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR CHRNB2 722/4885CHRNB4 542/4885CHRNA3 333/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR CHRNB2 722/4885CHRNB4 542/4885CHRNA3 333/4885

“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.