SCHEMBL20657980

SCHEMBL20657980

Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(=O)cc(C)[nH]2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ HTT P42858 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ POLB P06746 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ ADCY1 Q08828 9/20 0.69
▸ ADCY8 P40145 7/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57

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
SCHEMBL20657964 0.89 ADCY1 (0.75) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20673057 0.86 ADCY1 (0.80) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20673091 0.83 ADCY1 (0.72) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20673012 0.82 ADCY1 (0.71) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20657973 0.82 ADCY8 (0.70) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20673006 0.82 ADCY1 (0.73) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL22275973 0.82 ADCY1 (1.00) ADCY1ADCY8HTR2B
SCHEMBL20673074 0.81 ADCY1 (0.72) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20673133 0.81 ADCY1 (0.86) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL20657976 0.79 ADCY1 (0.69) NPSR1ALDH1A1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083877-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2024-03-14 — — 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-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-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-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
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 (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-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 NPSR1 66/4885ALDH1A1 111/4885KMT2A 2956/4885
US-20240083877-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 NPSR1 66/4885ALDH1A1 111/4885KMT2A 2956/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 NPSR1 66/4885ALDH1A1 111/4885KMT2A 2956/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 NPSR1 58/4885ALDH1A1 74/4885KMT2A 2712/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 NPSR1 58/4885ALDH1A1 74/4885KMT2A 2712/4885

“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.

Send feedback