SCHEMBL19630837

SCHEMBL19630837

COC(=O)N1CC2C=CC1CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL3260314 0.83 GAA (0.36) TSHR
SCHEMBL30382313 0.77 LTA4H (0.31)
SCHEMBL10635909 0.75 RIPK1 (0.38)
SCHEMBL7959569 0.72 TSHR (0.40) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8314920 0.72 TSHR (0.43) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20216325 0.72 TSHR (0.47) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10389784 0.70 NFKB1 (0.33) TSHR
SCHEMBL15308950 0.70 TSHR (0.41) TSHRCHRNB2CHRNA4MMP2ANPEP
SCHEMBL16504401 0.70 TSHR (0.41) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14720464 0.70 TSHR (0.41) TSHRCHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 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 (3 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 TSHR 312/4885CHRNB2 84/4885CHRNA4 22/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 TSHR 266/4885CHRNB2 63/4885CHRNA4 16/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 TSHR 312/4885CHRNB2 84/4885CHRNA4 22/4885

“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.