SCHEMBL20673148

SCHEMBL20673148

COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 9/20 0.62
▸ ADCY8 P40145 5/20 0.62
▸ SPR P35270 1/20 0.61
▸ SLC2A1 P11166 5/20 0.61
▸ MAPT P10636 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ HTR2B P41595 1/20 0.60
▸ HTT P42858 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ KMT2A Q03164 2/20 0.57
▸ SAE1 Q9UBE0 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALPL P05186 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ S1PR1 P21453 1/20 0.54

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
SCHEMBL20673244 0.89 ADCY1 (0.58) ADCY1ADCY8SPRSLC2A1MAPT
SCHEMBL20673066 0.89 ADCY1 (0.79) ADCY1ADCY8HTR2B
SCHEMBL20673022 0.88 ADCY1 (0.68) ADCY1ADCY8SLC2A1MAPTSMN1; SMN2
SCHEMBL20673246 0.88 ADCY1 (0.56) ADCY1ADCY8SPRSLC2A1MAPT
SCHEMBL20673057 0.85 ADCY1 (0.80) ADCY1ADCY8SLC2A1MAPTSMN1; SMN2
SCHEMBL20672998 0.84 ADCY1 (0.65) ADCY1ADCY8SLC2A1HTR2BHTT
SCHEMBL20673021 0.83 SLC2A1 (0.81) ADCY1ADCY8SLC2A1MAPTSMN1; SMN2
SCHEMBL20673073 0.83 SLC2A1 (0.62) ADCY1ADCY8SLC2A1MAPTSMN1; SMN2
SCHEMBL20673002 0.83 ADCY1 (0.78) ADCY1ADCY8SLC2A1HTR2BKDM4E
SCHEMBL20673084 0.80 SLC2A1 (0.54) ADCY1ADCY8SLC2A1MAPTSMN1; 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 ADCY1 2/4885ADCY8 7/4885SPR 561/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 7/4885SPR 561/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885SPR 606/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885SPR 606/4885

“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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