SCHEMBL20598399

SCHEMBL20598399

COc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 15/20 1.00
▸ ADCY8 P40145 13/20 0.81
▸ MAPT P10636 3/20 0.74
▸ HTT P42858 3/20 0.74
▸ TDP1 Q9NUW8 3/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ LMNA P02545 3/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ RAB9A P51151 2/20 0.69
▸ CSNK2A2 P19784 1/20 0.67
▸ CSNK2A1 P68400 1/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ OPRK1 P41145 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ CCR6 P51684 1/20 0.66

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
SCHEMBL20598226 0.90 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20598217 0.89 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20597882 0.88 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL17716957 0.88 ADCY1 (0.83) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20598164 0.86 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20598207 0.86 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20597900 0.86 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20597850 0.86 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL21628055 0.85 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1
SCHEMBL20598477 0.85 ADCY1 (1.00) ADCY1ADCY8MAPTHTTTDP1

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 13/4885MAPT 3534/4885
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, OPRK1 ADCY1 2/4885ADCY8 14/4885MAPT 3356/4885
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS ADCY1, CAP1, ADCY2 ADCY1 1/4885ADCY8 11/4885MAPT 3262/4885

“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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