SCHEMBL13801431

SCHEMBL13801431

C1CC(C2CCN(CC3CC3)CC2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 7/20 0.49
GNAO1 P09471 7/20 0.49
GNAI1 P63096 6/20 0.49
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
ACHE P22303 1/20 0.41
GBA1 P04062 2/20 0.40
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL24480645 0.87 GNAO1 (0.50) GNAI3GNAO1GNAI1CHRM5ADRA2C
SCHEMBL24481112 0.86 GNAI3 (0.45) GNAI3GNAO1GNAI1CHRM5ADRA2C
SCHEMBL16188006 0.86 GNAI3 (0.45) GNAI3GNAO1GNAI1CHRM5ADRA2C
SCHEMBL24480215 0.83 GNAI3 (0.50) GNAI3GNAO1GNAI1CHRM5ADRA2C
SCHEMBL29317307 0.82 GNAI3 (0.43) GNAI3GNAO1GNAI1CHRM5ADRA2C
SCHEMBL731212 0.81 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CACNA2D1
SCHEMBL2912326 0.81 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CACNA2D1
SCHEMBL14422030 0.81 GBA1 (0.48) GNAI3GNAO1GNAI1CHRM5ADRA2C
SCHEMBL20873850 0.81 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CACNA2D1
SCHEMBL92626 0.81 CHRM5 (0.48) CHRM5ADRA2CACHEGBA1CACNA2D1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS GNAI3 2377/4885GNAO1 756/4885GNAI1 1500/4885

“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.