SCHEMBL14720464

SCHEMBL14720464

COC(=O)N1CC2C=CC1C(C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL16504401 0.88 TSHR (0.41) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15308950 0.88 TSHR (0.41) TSHRCHRNB2CHRNA4MMP2ANPEP
SCHEMBL19630896 0.84 TSHR (0.38) TSHR
SCHEMBL26323941 0.84 TSHR (0.38) TSHR
SCHEMBL17357050 0.83 ATM (0.33) MMP2ANPEPKDM4ELMNA
SCHEMBL19611340 0.82
SCHEMBL19630914 0.81 TSHR (0.36) TSHRKDM4E
SCHEMBL30550528 0.81 TSHR (0.36) TSHR
SCHEMBL20216320 0.81 TSHR (0.36) TSHR
SCHEMBL8314920 0.81 TSHR (0.43) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122213-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-04-17 US disclosed
US-12195478-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-14 US disclosed
EP-4487913-A2 OPIOID RECEPTOR MODULATORS The Trustees Of Columbia University In The City Of New York (US) 2025-01-08 EP disclosed
EP-3224261-B1 OPIOID RECEPTOR MODULATORS UNIV COLUMBIA (US) 2024-09-18 EP disclosed
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-9550789-B2 Halogenated indole and benzofuran derivatives of isoquinuclidene and processes for preparing them DEMERX, INC. (US) 2017-01-24 US disclosed
US-20150368255-A1 HALOGENATED INDOLE AND BENZOFURAN DERIVATIVES OF ISOQUINUCLIDENE AND PROCESSES FOR PREPARING THEM DEMERX, INC. 2015-12-24 US disclosed
WO-2015195673-A2 HALOGENATED INDOLE AND BENZOFURAN DERIVATIVES OF ISOQUINUCLIDENE AND PROCESSES FOR PREPARING THEM DEMERX, INC. (US) 2015-12-23 WO disclosed
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-26 US disclosed
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-26 US disclosed
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO disclosed
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO 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 (6 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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 TSHR 266/4885MAPT 3739/4885CHRNB2 63/4885
US-20150368255-A1 HALOGENATED INDOLE AND BENZOFURAN DERIVATIVES OF ISOQUINUCLIDENE AND PROCESSES FOR PREPARING THEM BBOX1, INMT, ARFGEF1 TSHR 1987/4885MAPT 3088/4885CHRNB2 993/4885
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS GFRA1, GFRA2, GFRA3 TSHR 128/4885MAPT 1308/4885CHRNB2 42/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 TSHR 266/4885MAPT 3739/4885CHRNB2 63/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 TSHR 266/4885MAPT 3739/4885CHRNB2 63/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 TSHR 312/4885MAPT 4252/4885CHRNB2 84/4885

“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.