SCHEMBL4138870

SCHEMBL4138870

CCC(=O)C1=C(c2ccc(I)cc2)CC2CC[C@@H]1N2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 5/20 0.39
REN P00797 2/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA7 P36544 2/20 0.33
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL4147504 1.00 SLC6A3 (0.39) SLC6A3SLC6A4RENSLC6A2CHRNB2
SCHEMBL4138873 1.00 SLC6A3 (0.39) SLC6A3SLC6A4RENSLC6A2CHRNB2
SCHEMBL3421449 0.87 SLC6A3 (0.39) SLC6A3SLC6A4RENCHRNA7CYP3A4
SCHEMBL4135078 0.87 SLC6A3 (0.39) SLC6A3SLC6A4RENCHRNA7CYP3A4
SCHEMBL4142238 0.81 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL4142236 0.81 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL4149439 0.81 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL4140195 0.80 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL4140196 0.80 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL4140231 0.80 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ALDH1A1

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-20090208415-A1 Tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-20 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-20090208415-A1 Tropane compounds TPM3, TPM4, ADRA2C SLC6A3 196/4885SLC6A4 217/4885REN 3013/4885

“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.