SCHEMBL20673084

SCHEMBL20673084

COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ ADCY1 Q08828 5/20 0.47
▸ ADCY8 P40145 3/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTR2B P41595 1/20 0.45
▸ PSMD14 O00487 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL20673080 0.87 NPSR1 (0.61) SLC2A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL20673083 0.85 ADCY1 (0.49) SLC2A1KMT2ASMN1; SMN2HTTADCY1
SCHEMBL20673082 0.84 KDM4E (0.59) SLC2A1KMT2ALMNAADCY1ADCY8
SCHEMBL20673244 0.81 ADCY1 (0.58) SLC2A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL20673021 0.81 SLC2A1 (0.81) SLC2A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL20673148 0.80 ADCY1 (0.62) SLC2A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL20673131 0.79 ADCY8 (0.60) SLC2A1MAPTSMN1; SMN2ADCY1ADCY8
SCHEMBL20673130 0.79 ADCY1 (0.59) KMT2ALMNAADCY1ADCY8MEN1
SCHEMBL20673073 0.79 SLC2A1 (0.62) SLC2A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL20673066 0.76 ADCY1 (0.79) ADCY1ADCY8HTR2B

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 4644/4885KMT2A 2956/4885MAPT 3579/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 SLC2A1 4644/4885KMT2A 2956/4885MAPT 3579/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 SLC2A1 4613/4885KMT2A 2712/4885MAPT 3085/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 SLC2A1 4613/4885KMT2A 2712/4885MAPT 3085/4885

“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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