SCHEMBL2615533

SCHEMBL2615533

CN1[C@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccc([18F])cc13)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 13/20 0.71
HTR3E A5X5Y0 2/20 0.71
HTR3B O95264 2/20 0.71
HTR3D Q70Z44 2/20 0.71
HTR3C Q8WXA8 2/20 0.71
CHRNA1 P02708 1/20 0.71
CHRNG P07510 1/20 0.71
CYP3A4 P08684 1/20 0.71
HTR1A P08908 1/20 0.71
CHRM5 P08912 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 1/20 0.71
CHRM1 P11229 1/20 0.71
CHRNB1 P11230 1/20 0.71
CHRNB2 P17787 1/20 0.71
ADRA2B P18089 1/20 0.71
ADRA2C P18825 1/20 0.71
CHRM3 P20309 1/20 0.71
CHRNB4 P30926 1/20 0.71
SLC6A4 P31645 1/20 0.71

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
SCHEMBL2615534 1.00 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20957973 0.91 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30434105 0.91 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20957975 0.91 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20989511 0.91 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20957974 0.91 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL20957949 0.90 APEX1 (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL20957946 0.90 APEX1 (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL20957948 0.90 APEX1 (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23251140 0.86 HTR3E (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HTR3A 2177/4885HTR3E 2531/4885HTR3B 1692/4885

“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.