SCHEMBL20673050

SCHEMBL20673050

CCc1ccnc(-n2nc(C)cc2NC(=O)c2ccccc2F)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 11/20 0.65
▸ ADCY8 P40145 9/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ KMT2A Q03164 4/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 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
SCHEMBL20673014 0.85 ADCY8 (0.48) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL22275973 0.78 ADCY1 (1.00) ADCY1ADCY8HTR2B
SCHEMBL20673074 0.76 ADCY1 (0.72) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL20657964 0.75 ADCY1 (0.75) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL20673000 0.74 ADCY1 (0.90) ADCY1ADCY8HTR2B
SCHEMBL20673091 0.74 ADCY1 (0.72) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL20673012 0.73 ADCY1 (0.71) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL20673133 0.73 ADCY1 (0.86) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL20673057 0.72 ADCY1 (0.80) ADCY1ADCY8HTR2BKMT2ANPSR1
SCHEMBL20657980 0.71 NPSR1 (0.71) ADCY1ADCY8HTR2BKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 7/4885HTR2B 2025/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 11/4885HTR2B 1794/4885

“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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