SCHEMBL20673131

SCHEMBL20673131

Cc1cc(NC(=O)c2ccco2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADCY8 P40145 7/20 0.60
▸ ADCY1 Q08828 7/20 0.60
▸ POLB P06746 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTR2B P41595 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL20673082 0.84 KDM4E (0.59) ADCY8ADCY1POLBALDH1A1KDM4E
SCHEMBL20673080 0.81 NPSR1 (0.61) ADCY8ADCY1POLBMAPTSMN1; SMN2
SCHEMBL20673009 0.81 ADCY1 (0.73) ADCY8ADCY1HTR2BSLC2A1
SCHEMBL20673130 0.80 ADCY1 (0.59) ADCY8ADCY1ALDH1A1KDM4EHTR2B
SCHEMBL20673084 0.79 SLC2A1 (0.54) ADCY8ADCY1POLBMAPTSMN1; SMN2
SCHEMBL20673083 0.79 ADCY1 (0.49) ADCY8ADCY1POLBSMN1; SMN2ALDH1A1
SCHEMBL20673058 0.79 ADCY1 (0.80) ADCY8ADCY1MAPTSMN1; SMN2ALDH1A1
SCHEMBL20673089 0.78 ADCY1 (0.72) ADCY8ADCY1HTR2B
SCHEMBL20657976 0.78 ADCY1 (0.69) ADCY8ADCY1POLBMAPTSMN1; SMN2
SCHEMBL23160929 0.75 ADCY1 (0.73) ADCY8ADCY1HTR2B

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 ADCY8 7/4885ADCY1 2/4885POLB 4643/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY8 7/4885ADCY1 2/4885POLB 4643/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY8 11/4885ADCY1 2/4885POLB 4587/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY8 11/4885ADCY1 2/4885POLB 4587/4885

“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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