SCHEMBL20670684

SCHEMBL20670684

Nc1c(Cl)cc(I)cc1CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL28242185 0.78 HPGD (0.33) ALDH1A1CYP3A4IDO1
SCHEMBL20670556 0.78 TTR (0.39) CA1CA2CA9
SCHEMBL2314837 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL2861514 0.77 CYP3A4 (0.58) ALDH1A1CYP3A4IDO1CA1CA2
SCHEMBL1570736 0.75 CYP3A4 (0.36) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL31180357 0.75 CYP3A4 (0.36) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL23301587 0.75 GAA (0.36) CYP3A4CA1CA2CA9
SCHEMBL20670791 0.75 CA1 (0.32) CA1CA2CA9
SCHEMBL12931055 0.75 IDO1 (0.32) IDO1
SCHEMBL29897454 0.75 GAA (0.36) CYP3A4CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 EP disclosed
US-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2022-05-26 US disclosed
US-11124504-B2 Kappa opioid receptor antagonists and products and methods related thereto THE SCRIPPS RESEARCH INSTITUTE (US) 2021-09-21 US disclosed
US-20210047310-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2021-02-18 US disclosed
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2020-06-09 US disclosed
US-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-01-24 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 (5 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-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 ALDH1A1 2192/4885CYP3A4 856/4885IDO1 947/4885
US-11124504-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 ALDH1A1 2154/4885CYP3A4 843/4885IDO1 962/4885
US-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 ALDH1A1 2154/4885CYP3A4 843/4885IDO1 962/4885
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 ALDH1A1 2154/4885CYP3A4 843/4885IDO1 962/4885
US-20210047310-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 ALDH1A1 2154/4885CYP3A4 843/4885IDO1 962/4885

“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.