SCHEMBL20598531

SCHEMBL20598531

Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 18/20 1.00
▸ ADCY8 P40145 8/20 1.00
▸ KDM4E B2RXH2 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ CCR6 P51684 1/20 0.61
▸ HTT P42858 1/20 0.59

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
SCHEMBL25496858 0.90 ADCY1 (0.82) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20598092 0.88 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20598176 0.84 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAHTT
SCHEMBL17717053 0.83 ADCY1 (0.86) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL17717010 0.82 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20598245 0.81 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20597964 0.80 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20598071 0.80 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAHTT
SCHEMBL30405995 0.80 ADCY1 (0.69) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20597987 0.78 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1

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 4/4885ADCY8 13/4885KDM4E 3260/4885
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, OPRK1 ADCY1 2/4885ADCY8 14/4885KDM4E 3222/4885
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS ADCY1, CAP1, ADCY2 ADCY1 1/4885ADCY8 11/4885KDM4E 3984/4885

“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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