SCHEMBL20598526

SCHEMBL20598526

COc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 13/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ LMNA P02545 1/20 1.00
▸ OPRK1 P41145 1/20 1.00
▸ RECQL P46063 1/20 1.00
▸ CCR6 P51684 1/20 1.00
▸ CSNK2A2 P19784 1/20 0.80
▸ CSNK2A1 P68400 1/20 0.80
▸ ADCY8 P40145 2/20 0.72
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ HTT P42858 1/20 0.62

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
SCHEMBL22668530 0.96 ADCY1 (0.93) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL17717010 0.90 ADCY1 (1.00) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL12525970 0.89 CSNK2A2 (1.00) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL22668621 0.88 ADCY1 (0.81) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL13430346 0.87 CSNK2A2 (0.79) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL22668604 0.87 ADCY1 (0.86) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL20598520 0.87 ADCY1 (1.00) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL17718573 0.87 CSNK2A2 (0.78) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL20598245 0.86 ADCY1 (1.00) ADCY1KDM4ELMNAOPRK1RECQL
SCHEMBL22594298 0.86 ADCY1 (0.77) ADCY1KDM4ELMNAOPRK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2020-01-30 — — US disclosed
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2019-10-29 — — US disclosed
US-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-03 — — 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 (3 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-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, OPRK1, OPRL1 ADCY1 4/4885KDM4E 3260/4885LMNA 4818/4885
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, OPRK1 ADCY1 2/4885KDM4E 3222/4885LMNA 4802/4885
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS ADCY1, CAP1, ADCY2 ADCY1 1/4885KDM4E 3984/4885LMNA 4464/4885

“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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