SCHEMBL20673244

SCHEMBL20673244

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 11/20 0.58
▸ ADCY8 P40145 7/20 0.58
▸ MAPT P10636 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ SLC2A1 P11166 4/20 0.52
▸ SPR P35270 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL20673148 0.89 ADCY1 (0.62) ADCY1ADCY8MAPTSMN1; SMN2HTR2B
SCHEMBL20673006 0.87 ADCY1 (0.73) ADCY1ADCY8MAPTSMN1; SMN2HTR2B
SCHEMBL20673066 0.85 ADCY1 (0.79) ADCY1ADCY8HTR2B
SCHEMBL20673005 0.85 ADCY1 (0.60) ADCY1ADCY8HTR2BHTTKMT2A
SCHEMBL20673245 0.84 ADCY1 (0.71) ADCY1ADCY8HTR2BSLC2A1KDM4E
SCHEMBL20673022 0.84 ADCY1 (0.68) ADCY1ADCY8MAPTSMN1; SMN2HTR2B
SCHEMBL20673246 0.84 ADCY1 (0.56) ADCY1ADCY8MAPTSMN1; SMN2HTR2B
SCHEMBL20673084 0.81 SLC2A1 (0.54) ADCY1ADCY8MAPTSMN1; SMN2HTR2B
SCHEMBL20673009 0.79 ADCY1 (0.73) ADCY1ADCY8HTR2BSLC2A1
SCHEMBL20673008 0.79 ADCY1 (0.72) ADCY1ADCY8HTR2BKMT2AKDM4E

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 7/4885MAPT 3579/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 7/4885MAPT 3579/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885MAPT 3085/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885MAPT 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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