SCHEMBL20673073

SCHEMBL20673073

CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2OC)[nH]c(=O)c1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.62
▸ ADCY1 Q08828 13/20 0.57
▸ ADCY8 P40145 9/20 0.57
▸ MAPT P10636 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTR2B P41595 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL20673021 0.87 SLC2A1 (0.81) SLC2A1ADCY1ADCY8MAPTSMN1; SMN2
SCHEMBL20673091 0.87 ADCY1 (0.72) SLC2A1ADCY1ADCY8MAPTSMN1; SMN2
SCHEMBL20673072 0.86 ADCY1 (0.60) SLC2A1ADCY1ADCY8HTR2BHTT
SCHEMBL20673066 0.84 ADCY1 (0.79) ADCY1ADCY8HTR2B
SCHEMBL20673148 0.83 ADCY1 (0.62) SLC2A1ADCY1ADCY8MAPTSMN1; SMN2
SCHEMBL20673022 0.81 ADCY1 (0.68) SLC2A1ADCY1ADCY8MAPTSMN1; SMN2
SCHEMBL20673092 0.80 MEN1 (0.65) ADCY1ADCY8MAPTSMN1; SMN2HTR2B
SCHEMBL20673089 0.80 ADCY1 (0.72) ADCY1ADCY8HTR2B
SCHEMBL20673071 0.79 ADCY1 (0.71) ADCY1ADCY8HTR2BKMT2AKDM4E
SCHEMBL20673244 0.79 ADCY1 (0.58) SLC2A1ADCY1ADCY8MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2020-07-30 — — US disclosed
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2020-05-26 — — US disclosed
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 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 (4 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-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 SLC2A1 4644/4885ADCY1 2/4885ADCY8 7/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 SLC2A1 4644/4885ADCY1 2/4885ADCY8 7/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 SLC2A1 4613/4885ADCY1 2/4885ADCY8 11/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 SLC2A1 4613/4885ADCY1 2/4885ADCY8 11/4885

“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.

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